N-methyl-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide

C15H20N4O — CID 146088120

IUPACN-methyl-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide
SMILESCC(c1ccncc1)N(C)C(=O)c1ccn(C(C)C)n1
InChIInChI=1S/C15H20N4O/c1-11(2)19-10-7-14(17-19)15(20)18(4)12(3)13-5-8-16-9-6-13/h5-12H,1-4H3
InChIKeyVQFJIXCUDLBHNE-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.69
Rot. Bonds4

About N-methyl-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide

N-methyl-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide (PubChem CID 146088120) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-methyl-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide
PubChem CID146088120
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-methyl-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide
SMILESCC(c1ccncc1)N(C)C(=O)c1ccn(C(C)C)n1
InChIInChI=1S/C15H20N4O/c1-11(2)19-10-7-14(17-19)15(20)18(4)12(3)13-5-8-16-9-6-13/h5-12H,1-4H3
InChIKeyVQFJIXCUDLBHNE-UHFFFAOYSA-N
XLogP2.69
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoate
CID 96539757
3-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
CID 119232438
1-ethyl-N-methyl-3-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide
CID 95222062
2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60964247
2-(2-fluorophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]-1,3-thiazole-4-carboxamide
CID 95977103
3-tert-butyl-N,1-dimethyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 154739477
N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide
CID 146091043
4-amino-N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrrole-2-carboxamide
CID 61115899
(2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride
CID 120872784
3,5-dibromo-4-hydroxy-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 97326605
2-[3-(dimethylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19623443
tert-butyl N-methyl-N-(1-pyridin-4-ylethyl)carbamate
CID 63789575

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of N-methyl-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide (CID 146088120) is N-methyl-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide is CC(c1ccncc1)N(C)C(=O)c1ccn(C(C)C)n1.
What is the InChIKey of N-methyl-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide?
The InChIKey is VQFJIXCUDLBHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(2)19-10-7-14(17-19)15(20)18(4)12(3)13-5-8-16-9-6-13/h5-12H,1-4H3.
What are the key properties of N-methyl-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide?
N-methyl-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 146088120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).