4-amino-N,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-3-carboxamide

C16H22N4O — CID 62082996

IUPAC4-amino-N,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N(C)Cc2ccc(C(C)C)cc2)c1N
InChIInChI=1S/C16H22N4O/c1-10(2)13-7-5-12(6-8-13)9-20(4)16(21)15-14(17)11(3)18-19-15/h5-8,10H,9,17H2,1-4H3,(H,18,19)
InChIKeyUELHLLHTQSIRPB-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.70
Rot. Bonds4

About 4-amino-N,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-3-carboxamide

4-amino-N,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 62082996) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-amino-N,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID62082996
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-amino-N,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N(C)Cc2ccc(C(C)C)cc2)c1N
InChIInChI=1S/C16H22N4O/c1-10(2)13-7-5-12(6-8-13)9-20(4)16(21)15-14(17)11(3)18-19-15/h5-8,10H,9,17H2,1-4H3,(H,18,19)
InChIKeyUELHLLHTQSIRPB-UHFFFAOYSA-N
XLogP2.70
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-3-carboxamide (CID 62082996) is 4-amino-N,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)N(C)Cc2ccc(C(C)C)cc2)c1N.
What is the InChIKey of 4-amino-N,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is UELHLLHTQSIRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-10(2)13-7-5-12(6-8-13)9-20(4)16(21)15-14(17)11(3)18-19-15/h5-8,10H,9,17H2,1-4H3,(H,18,19).
What are the key properties of 4-amino-N,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-3-carboxamide?
4-amino-N,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62082996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).