5-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazole-4-carboxamide

C15H20N4O — CID 106910470

IUPAC5-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)Nc1ccc(CNC(C)C)cc1
InChIInChI=1S/C15H20N4O/c1-10(2)16-8-12-4-6-13(7-5-12)18-15(20)14-9-17-19-11(14)3/h4-7,9-10,16H,8H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyNHAYLNRAJHCSAG-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.47
Rot. Bonds5

About 5-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazole-4-carboxamide

5-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 106910470) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazole-4-carboxamide
PubChem CID106910470
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)Nc1ccc(CNC(C)C)cc1
InChIInChI=1S/C15H20N4O/c1-10(2)16-8-12-4-6-13(7-5-12)18-15(20)14-9-17-19-11(14)3/h4-7,9-10,16H,8H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyNHAYLNRAJHCSAG-UHFFFAOYSA-N
XLogP2.47
TPSA69.81 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 ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[4-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 106910350
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
N-(6-fluoro-3-pyridinyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103789931
5-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1,2-oxazole-3-carboxamide
CID 106910403
3-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 106910483
N-(3-iodo-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63997812
5-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carboxamide
CID 106910472
2,2,2-trifluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 15498276
N-(2-acetylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998634
N-(4-ethyl-3-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 61068685

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazole-4-carboxamide (CID 106910470) is 5-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)Nc1ccc(CNC(C)C)cc1.
What is the InChIKey of 5-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is NHAYLNRAJHCSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(2)16-8-12-4-6-13(7-5-12)18-15(20)14-9-17-19-11(14)3/h4-7,9-10,16H,8H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 5-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazole-4-carboxamide?
5-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 106910470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).