4-amino-5-cyclopropyl-N-(3-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide

C16H20N4O — CID 62077622

IUPAC4-amino-5-cyclopropyl-N-(3-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cccc(NC(=O)c2n[nH]c(C3CC3)c2N)c1
InChIInChI=1S/C16H20N4O/c1-9(2)11-4-3-5-12(8-11)18-16(21)15-13(17)14(19-20-15)10-6-7-10/h3-5,8-10H,6-7,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyJSCHLAHRSBOMLE-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.24
Rot. Bonds4

About 4-amino-5-cyclopropyl-N-(3-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide

4-amino-5-cyclopropyl-N-(3-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide (PubChem CID 62077622) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-N-(3-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-N-(3-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide
PubChem CID62077622
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-amino-5-cyclopropyl-N-(3-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cccc(NC(=O)c2n[nH]c(C3CC3)c2N)c1
InChIInChI=1S/C16H20N4O/c1-9(2)11-4-3-5-12(8-11)18-16(21)15-13(17)14(19-20-15)10-6-7-10/h3-5,8-10H,6-7,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyJSCHLAHRSBOMLE-UHFFFAOYSA-N
XLogP3.24
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-cyclopropyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide
CID 107863851
4-amino-5-cyclopropyl-N-(4-iodophenyl)-1H-pyrazole-3-carboxamide
CID 62075638
4-amino-5-cyclopropyl-N-(4-ethylphenyl)-1H-pyrazole-3-carboxamide
CID 62077284
4-amino-5-cyclopropyl-N-[4-(dimethylamino)phenyl]-1H-pyrazole-3-carboxamide
CID 62078614
4-amino-5-cyclopropyl-N-(2,6-dichlorophenyl)-1H-pyrazole-3-carboxamide
CID 65467132
4-amino-N-(3-chloro-4-cyanophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 62077623
4-amino-5-cyclopropyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide
CID 62075948
4-amino-5-cyclopropyl-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-3-carboxamide
CID 62077789
4-amino-N-(3-chloro-2-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 62077620
4-amino-5-cyclopropyl-N-(4-fluoro-2-methylphenyl)-1H-pyrazole-3-carboxamide
CID 62077288
4-amino-N-(2-chloro-4-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 62077618
4-amino-5-cyclopropyl-N-(2,5-dichlorophenyl)-1H-pyrazole-3-carboxamide
CID 62075479

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclopropyl-N-(3-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-cyclopropyl-N-(3-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide (CID 62077622) is 4-amino-5-cyclopropyl-N-(3-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyclopropyl-N-(3-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-cyclopropyl-N-(3-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide is CC(C)c1cccc(NC(=O)c2n[nH]c(C3CC3)c2N)c1.
What is the InChIKey of 4-amino-5-cyclopropyl-N-(3-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide?
The InChIKey is JSCHLAHRSBOMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-9(2)11-4-3-5-12(8-11)18-16(21)15-13(17)14(19-20-15)10-6-7-10/h3-5,8-10H,6-7,17H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 4-amino-5-cyclopropyl-N-(3-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide?
4-amino-5-cyclopropyl-N-(3-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclopropyl-N-(3-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62077622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).