tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate

C18H23N3O2 — CID 146254523

IUPACtert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cn(Cc2ccccc2)nc1C1CC1
InChIInChI=1S/C18H23N3O2/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/h4-8,12,14H,9-11H2,1-3H3,(H,19,22)
InChIKeyIWWKSUFVNOSBSB-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.16
Rot. Bonds4

About tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate

tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate (PubChem CID 146254523) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate
PubChem CID146254523
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Nametert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cn(Cc2ccccc2)nc1C1CC1
InChIInChI=1S/C18H23N3O2/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/h4-8,12,14H,9-11H2,1-3H3,(H,19,22)
InChIKeyIWWKSUFVNOSBSB-UHFFFAOYSA-N
XLogP4.16
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-benzyl-3-cyclopropylpyrazole-4-carboxamide
CID 156875605
tert-butyl N-[(3R,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 11784143
tert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate
CID 123824709
tert-butyl N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]carbamate
CID 69019941
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
tert-butyl N-[(2R,3S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]carbamate
CID 99723977
tert-butyl N-[(4R)-1-(1-benzylpyrazol-3-yl)-4-hydroxypyrrolidin-3-yl]carbamate
CID 126672095
tert-butyl N-[(3R,4R)-1-benzyl-4-cyclopropylpyrrolidin-3-yl]carbamate
CID 102069021
tert-butyl N-[(3aS,4R,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate;tert-butyl N-[(3aR,4S,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
CID 78358060
tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate
CID 97170435
tert-butyl N-[2-(oxan-4-ylmethylamino)phenyl]carbamate
CID 107240362

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate?
The IUPAC name of tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate (CID 146254523) is tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate is CC(C)(C)OC(=O)Nc1cn(Cc2ccccc2)nc1C1CC1.
What is the InChIKey of tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate?
The InChIKey is IWWKSUFVNOSBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/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/h4-8,12,14H,9-11H2,1-3H3,(H,19,22).
What are the key properties of tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate?
tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate has a molecular weight of 313.40 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate is sourced from PubChem (CID 146254523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).