1-benzyl-3-cyclopropylpyrazol-4-amine;N-(1-benzyl-3-cyclopropylpyrazol-4-yl)-2,2,2-trifluoroacetamide;tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate;tert-butyl N-(5-cyclopropyl-1H-pyrazol-4-yl)carbamate;5-cyclopropyl-1H-pyrazol-4-amine

C63H78F3N15O5 — CID 167559213

IUPAC1-benzyl-3-cyclopropylpyrazol-4-amine;N-(1-benzyl-3-cyclopropylpyrazol-4-yl)-2,2,2-trifluoroacetamide;tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate;tert-butyl N-(5-cyclopropyl-1H-pyrazol-4-yl)carbamate;5-cyclopropyl-1H-pyrazol-4-amine
SMILESCC(C)(C)OC(=O)Nc1cn(Cc2ccccc2)nc1C1CC1.CC(C)(C)OC(=O)Nc1cn[nH]c1C1CC1.Nc1cn(Cc2ccccc2)nc1C1CC1.Nc1cn[nH]c1C1CC1.O=C(Nc1cn(Cc2ccccc2)nc1C1CC1)C(F)(F)F
InChIInChI=1S/C18H23N3O2.C15H14F3N3O.C13H15N3.C11H17N3O2.C6H9N3/c1-18(2,3)23-17(22)19-15-12-21(20-16(15)14-9-10-14)11-13-7-5-4-6-8-13;16-15(17,18)14(22)19-12-9-21(20-13(12)11-6-7-11)8-10-4-2-1-3-5-10;14-12-9-16(15-13(12)11-6-7-11)8-10-4-2-1-3-5-10;1-11(2,3)16-10(15)13-8-6-12-14-9(8)7-4-5-7;7-5-3-8-9-6(5)4-1-2-4/h4-8,12,14H,9-11H2,1-3H3,(H,19,22);1-5,9,11H,6-8H2,(H,19,22);1-5,9,11H,6-8,14H2;6-7H,4-5H2,1-3H3,(H,12,14)(H,13,15);3-4H,1-2,7H2,(H,8,9)
InChIKeyDKOZWXZLLZTLCD-UHFFFAOYSA-N
MW1182.41 g/mol
LogP13.36
Rot. Bonds14

About 1-benzyl-3-cyclopropylpyrazol-4-amine;N-(1-benzyl-3-cyclopropylpyrazol-4-yl)-2,2,2-trifluoroacetamide;tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate;tert-butyl N-(5-cyclopropyl-1H-pyrazol-4-yl)carbamate;5-cyclopropyl-1H-pyrazol-4-amine

1-benzyl-3-cyclopropylpyrazol-4-amine;N-(1-benzyl-3-cyclopropylpyrazol-4-yl)-2,2,2-trifluoroacetamide;tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate;tert-butyl N-(5-cyclopropyl-1H-pyrazol-4-yl)carbamate;5-cyclopropyl-1H-pyrazol-4-amine (PubChem CID 167559213) has the molecular formula C63H78F3N15O5 and a molecular weight of 1182.41 g/mol. Its IUPAC name is 1-benzyl-3-cyclopropylpyrazol-4-amine;N-(1-benzyl-3-cyclopropylpyrazol-4-yl)-2,2,2-trifluoroacetamide;tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate;tert-butyl N-(5-cyclopropyl-1H-pyrazol-4-yl)carbamate;5-cyclopropyl-1H-pyrazol-4-amine.

Molecular Properties

Compound Name1-benzyl-3-cyclopropylpyrazol-4-amine;N-(1-benzyl-3-cyclopropylpyrazol-4-yl)-2,2,2-trifluoroacetamide;tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate;tert-butyl N-(5-cyclopropyl-1H-pyrazol-4-yl)carbamate;5-cyclopropyl-1H-pyrazol-4-amine
PubChem CID167559213
Molecular FormulaC63H78F3N15O5
Molecular Weight1182.41 g/mol
Exact Mass1181.63
IUPAC Name1-benzyl-3-cyclopropylpyrazol-4-amine;N-(1-benzyl-3-cyclopropylpyrazol-4-yl)-2,2,2-trifluoroacetamide;tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate;tert-butyl N-(5-cyclopropyl-1H-pyrazol-4-yl)carbamate;5-cyclopropyl-1H-pyrazol-4-amine
SMILESCC(C)(C)OC(=O)Nc1cn(Cc2ccccc2)nc1C1CC1.CC(C)(C)OC(=O)Nc1cn[nH]c1C1CC1.Nc1cn(Cc2ccccc2)nc1C1CC1.Nc1cn[nH]c1C1CC1.O=C(Nc1cn(Cc2ccccc2)nc1C1CC1)C(F)(F)F
InChIInChI=1S/C18H23N3O2.C15H14F3N3O.C13H15N3.C11H17N3O2.C6H9N3/c1-18(2,3)23-17(22)19-15-12-21(20-16(15)14-9-10-14)11-13-7-5-4-6-8-13;16-15(17,18)14(22)19-12-9-21(20-13(12)11-6-7-11)8-10-4-2-1-3-5-10;14-12-9-16(15-13(12)11-6-7-11)8-10-4-2-1-3-5-10;1-11(2,3)16-10(15)13-8-6-12-14-9(8)7-4-5-7;7-5-3-8-9-6(5)4-1-2-4/h4-8,12,14H,9-11H2,1-3H3,(H,19,22);1-5,9,11H,6-8H2,(H,19,22);1-5,9,11H,6-8,14H2;6-7H,4-5H2,1-3H3,(H,12,14)(H,13,15);3-4H,1-2,7H2,(H,8,9)
InChIKeyDKOZWXZLLZTLCD-UHFFFAOYSA-N
XLogP13.36
TPSA268.62 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms86
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001182.41
LogP ≤ 513.36
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Analyze 1-benzyl-3-cyclopropylpyrazol-4-amine;N-(1-benzyl-3-cyclopropylpyrazol-4-yl)-2,2,2-trifluoroacetamide;tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate;tert-butyl N-(5-cyclopropyl-1H-pyrazol-4-yl)carbamate;5-cyclopropyl-1H-pyrazol-4-amine with MolForge

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Related Compounds

tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate
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1-benzyl-3-cyclopropylpyrazole-4-carboxamide
CID 156875605
tert-butyl N-[2-(oxan-4-ylmethylamino)phenyl]carbamate
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tert-butyl N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]carbamate
CID 163333240
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CID 123824709
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CID 70110064
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CID 130577903
tert-butyl N-[(15R)-8-benzyl-15,18-dimethyl-16,22-dioxa-3,4,7,8,21-pentazatetracyclo[15.3.1.12,5.06,10]docosa-1(20),2,4,6,9,17(21),18-heptaen-20-yl]carbamate
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tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-cyclopropylpyrazol-4-amine;N-(1-benzyl-3-cyclopropylpyrazol-4-yl)-2,2,2-trifluoroacetamide;tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate;tert-butyl N-(5-cyclopropyl-1H-pyrazol-4-yl)carbamate;5-cyclopropyl-1H-pyrazol-4-amine?
The IUPAC name of 1-benzyl-3-cyclopropylpyrazol-4-amine;N-(1-benzyl-3-cyclopropylpyrazol-4-yl)-2,2,2-trifluoroacetamide;tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate;tert-butyl N-(5-cyclopropyl-1H-pyrazol-4-yl)carbamate;5-cyclopropyl-1H-pyrazol-4-amine (CID 167559213) is 1-benzyl-3-cyclopropylpyrazol-4-amine;N-(1-benzyl-3-cyclopropylpyrazol-4-yl)-2,2,2-trifluoroacetamide;tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate;tert-butyl N-(5-cyclopropyl-1H-pyrazol-4-yl)carbamate;5-cyclopropyl-1H-pyrazol-4-amine.
What is the SMILES notation for 1-benzyl-3-cyclopropylpyrazol-4-amine;N-(1-benzyl-3-cyclopropylpyrazol-4-yl)-2,2,2-trifluoroacetamide;tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate;tert-butyl N-(5-cyclopropyl-1H-pyrazol-4-yl)carbamate;5-cyclopropyl-1H-pyrazol-4-amine?
The canonical SMILES for 1-benzyl-3-cyclopropylpyrazol-4-amine;N-(1-benzyl-3-cyclopropylpyrazol-4-yl)-2,2,2-trifluoroacetamide;tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate;tert-butyl N-(5-cyclopropyl-1H-pyrazol-4-yl)carbamate;5-cyclopropyl-1H-pyrazol-4-amine is CC(C)(C)OC(=O)Nc1cn(Cc2ccccc2)nc1C1CC1.CC(C)(C)OC(=O)Nc1cn[nH]c1C1CC1.Nc1cn(Cc2ccccc2)nc1C1CC1.Nc1cn[nH]c1C1CC1.O=C(Nc1cn(Cc2ccccc2)nc1C1CC1)C(F)(F)F.
What is the InChIKey of 1-benzyl-3-cyclopropylpyrazol-4-amine;N-(1-benzyl-3-cyclopropylpyrazol-4-yl)-2,2,2-trifluoroacetamide;tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate;tert-butyl N-(5-cyclopropyl-1H-pyrazol-4-yl)carbamate;5-cyclopropyl-1H-pyrazol-4-amine?
The InChIKey is DKOZWXZLLZTLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2.C15H14F3N3O.C13H15N3.C11H17N3O2.C6H9N3/c1-18(2,3)23-17(22)19-15-12-21(20-16(15)14-9-10-14)11-13-7-5-4-6-8-13;16-15(17,18)14(22)19-12-9-21(20-13(12)11-6-7-11)8-10-4-2-1-3-5-10;14-12-9-16(15-13(12)11-6-7-11)8-10-4-2-1-3-5-10;1-11(2,3)16-10(15)13-8-6-12-14-9(8)7-4-5-7;7-5-3-8-9-6(5)4-1-2-4/h4-8,12,14H,9-11H2,1-3H3,(H,19,22);1-5,9,11H,6-8H2,(H,19,22);1-5,9,11H,6-8,14H2;6-7H,4-5H2,1-3H3,(H,12,14)(H,13,15);3-4H,1-2,7H2,(H,8,9).
What are the key properties of 1-benzyl-3-cyclopropylpyrazol-4-amine;N-(1-benzyl-3-cyclopropylpyrazol-4-yl)-2,2,2-trifluoroacetamide;tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate;tert-butyl N-(5-cyclopropyl-1H-pyrazol-4-yl)carbamate;5-cyclopropyl-1H-pyrazol-4-amine?
1-benzyl-3-cyclopropylpyrazol-4-amine;N-(1-benzyl-3-cyclopropylpyrazol-4-yl)-2,2,2-trifluoroacetamide;tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate;tert-butyl N-(5-cyclopropyl-1H-pyrazol-4-yl)carbamate;5-cyclopropyl-1H-pyrazol-4-amine has a molecular weight of 1182.41 g/mol, XLogP of 13.36, 14 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-cyclopropylpyrazol-4-amine;N-(1-benzyl-3-cyclopropylpyrazol-4-yl)-2,2,2-trifluoroacetamide;tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate;tert-butyl N-(5-cyclopropyl-1H-pyrazol-4-yl)carbamate;5-cyclopropyl-1H-pyrazol-4-amine is sourced from PubChem (CID 167559213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).