4-amino-N-[(3-methylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide

C15H20N4O — CID 62077427

IUPAC4-amino-N-[(3-methylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NCc2cccc(C)c2)c1N
InChIInChI=1S/C15H20N4O/c1-3-5-12-13(16)14(19-18-12)15(20)17-9-11-7-4-6-10(2)8-11/h4,6-8H,3,5,9,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyKWBKKWHRORQXFO-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.18
Rot. Bonds5

About 4-amino-N-[(3-methylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide

4-amino-N-[(3-methylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 62077427) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-amino-N-[(3-methylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3-methylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID62077427
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-amino-N-[(3-methylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NCc2cccc(C)c2)c1N
InChIInChI=1S/C15H20N4O/c1-3-5-12-13(16)14(19-18-12)15(20)17-9-11-7-4-6-10(2)8-11/h4,6-8H,3,5,9,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyKWBKKWHRORQXFO-UHFFFAOYSA-N
XLogP2.18
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(4-ethylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 106899103
4-amino-N-[(3,4-difluorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62076796
4-amino-5-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 107210252
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 65241562
4-amino-N-[(3-methyl-4-pyridinyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 114698169
4-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 106368577
4-amino-N-[(3-bromophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076742
3,5-dimethyl-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 54944517
3-amino-N-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 70796334
4-amino-5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 79223369
4-amino-N-(2,2-difluoroethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 115405291
4-amino-N-(2-methoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62075273

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-methylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(3-methylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 62077427) is 4-amino-N-[(3-methylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(3-methylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(3-methylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)NCc2cccc(C)c2)c1N.
What is the InChIKey of 4-amino-N-[(3-methylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is KWBKKWHRORQXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-5-12-13(16)14(19-18-12)15(20)17-9-11-7-4-6-10(2)8-11/h4,6-8H,3,5,9,16H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-N-[(3-methylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
4-amino-N-[(3-methylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-methylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62077427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).