5-methyl-N-[4-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide

C15H20N4O — CID 106910350

IUPAC5-methyl-N-[4-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCCCNCc1ccc(NC(=O)c2cn[nH]c2C)cc1
InChIInChI=1S/C15H20N4O/c1-3-8-16-9-12-4-6-13(7-5-12)18-15(20)14-10-17-19-11(14)2/h4-7,10,16H,3,8-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyLNYASEABDZAAOB-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.47
Rot. Bonds6

About 5-methyl-N-[4-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide

5-methyl-N-[4-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 106910350) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-methyl-N-[4-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID106910350
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-methyl-N-[4-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCCCNCc1ccc(NC(=O)c2cn[nH]c2C)cc1
InChIInChI=1S/C15H20N4O/c1-3-8-16-9-12-4-6-13(7-5-12)18-15(20)14-10-17-19-11(14)2/h4-7,10,16H,3,8-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyLNYASEABDZAAOB-UHFFFAOYSA-N
XLogP2.47
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazole-4-carboxamide
CID 106910470
N-[(4-acetamidophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 61066667
N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757361
N-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998428
5-methyl-N-[4-(propylaminomethyl)phenyl]furan-2-carboxamide
CID 106910296
N-(3-iodo-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63997812
N-(6-fluoro-3-pyridinyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103789931
N-(4-ethyl-3-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 61068685
N-[4-(ethylaminomethyl)phenyl]-2,5-dimethylbenzamide
CID 106910156
3,3-dimethyl-N-[4-(propylaminomethyl)phenyl]butanamide
CID 106910360
2-methylsulfonyl-N-[4-(propylaminomethyl)phenyl]propanamide
CID 106910339
N-(2-acetylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998634

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[4-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide (CID 106910350) is 5-methyl-N-[4-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide is CCCNCc1ccc(NC(=O)c2cn[nH]c2C)cc1.
What is the InChIKey of 5-methyl-N-[4-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is LNYASEABDZAAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-8-16-9-12-4-6-13(7-5-12)18-15(20)14-10-17-19-11(14)2/h4-7,10,16H,3,8-9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 5-methyl-N-[4-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide?
5-methyl-N-[4-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 106910350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).