2,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazole-3-carboxamide

C18H25N3O — CID 78905447

IUPAC2,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccc(CC(C)C)cc2)n(C)n1
InChIInChI=1S/C18H25N3O/c1-12(2)10-15-6-8-16(9-7-15)14(4)19-18(22)17-11-13(3)20-21(17)5/h6-9,11-12,14H,10H2,1-5H3,(H,19,22)
InChIKeyTXJHTSKCARULEX-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.42
Rot. Bonds5

About 2,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazole-3-carboxamide

2,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazole-3-carboxamide (PubChem CID 78905447) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazole-3-carboxamide
PubChem CID78905447
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccc(CC(C)C)cc2)n(C)n1
InChIInChI=1S/C18H25N3O/c1-12(2)10-15-6-8-16(9-7-15)14(4)19-18(22)17-11-13(3)20-21(17)5/h6-9,11-12,14H,10H2,1-5H3,(H,19,22)
InChIKeyTXJHTSKCARULEX-UHFFFAOYSA-N
XLogP3.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 52915206
3,5-dimethyl-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 8018859
3-methyl-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4-oxophthalazine-1-carboxamide
CID 7719211
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 107861204
2,5-dimethyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
CID 19481371
N-(1-chloro-3-phenylpropan-2-yl)-2,5-dimethylpyrazole-3-carboxamide
CID 114300362
N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 4837318
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 2452902
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 2452904
N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazine-2-carboxamide
CID 42997249
2-ethyl-5-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]pyrazole-3-carboxamide
CID 71983834
5,6-dichloro-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]pyridine-3-carboxamide
CID 7999529

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazole-3-carboxamide (CID 78905447) is 2,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NC(C)c2ccc(CC(C)C)cc2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazole-3-carboxamide?
The InChIKey is TXJHTSKCARULEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-12(2)10-15-6-8-16(9-7-15)14(4)19-18(22)17-11-13(3)20-21(17)5/h6-9,11-12,14H,10H2,1-5H3,(H,19,22).
What are the key properties of 2,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazole-3-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 78905447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).