4-methoxy-N-(6-methylheptan-2-yl)-1-phenylpyrazole-3-carboxamide

C19H27N3O2 — CID 46515773

IUPAC4-methoxy-N-(6-methylheptan-2-yl)-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NC(C)CCCC(C)C
InChIInChI=1S/C19H27N3O2/c1-14(2)9-8-10-15(3)20-19(23)18-17(24-4)13-22(21-18)16-11-6-5-7-12-16/h5-7,11-15H,8-10H2,1-4H3,(H,20,23)
InChIKeyPBWYGNPUYJWGDW-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.83
Rot. Bonds8

About 4-methoxy-N-(6-methylheptan-2-yl)-1-phenylpyrazole-3-carboxamide

4-methoxy-N-(6-methylheptan-2-yl)-1-phenylpyrazole-3-carboxamide (PubChem CID 46515773) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-methoxy-N-(6-methylheptan-2-yl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(6-methylheptan-2-yl)-1-phenylpyrazole-3-carboxamide
PubChem CID46515773
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name4-methoxy-N-(6-methylheptan-2-yl)-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NC(C)CCCC(C)C
InChIInChI=1S/C19H27N3O2/c1-14(2)9-8-10-15(3)20-19(23)18-17(24-4)13-22(21-18)16-11-6-5-7-12-16/h5-7,11-15H,8-10H2,1-4H3,(H,20,23)
InChIKeyPBWYGNPUYJWGDW-UHFFFAOYSA-N
XLogP3.83
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(2S)-5-methylhexan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 51862939
4-methoxy-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 94173289
4-methoxy-N-[2-(methylamino)propyl]-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 120832216
4-methoxy-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 94025955
4-methoxy-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]pyrazole-3-carboxamide
CID 40882617
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7992134
5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119234819
4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide
CID 39498587
methyl 7-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]heptanoate
CID 36624024
N-(4-butan-2-ylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 16561064
4-methoxy-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide
CID 55621665
[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8725346

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(6-methylheptan-2-yl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 4-methoxy-N-(6-methylheptan-2-yl)-1-phenylpyrazole-3-carboxamide (CID 46515773) is 4-methoxy-N-(6-methylheptan-2-yl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-methoxy-N-(6-methylheptan-2-yl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 4-methoxy-N-(6-methylheptan-2-yl)-1-phenylpyrazole-3-carboxamide is COc1cn(-c2ccccc2)nc1C(=O)NC(C)CCCC(C)C.
What is the InChIKey of 4-methoxy-N-(6-methylheptan-2-yl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is PBWYGNPUYJWGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(2)9-8-10-15(3)20-19(23)18-17(24-4)13-22(21-18)16-11-6-5-7-12-16/h5-7,11-15H,8-10H2,1-4H3,(H,20,23).
What are the key properties of 4-methoxy-N-(6-methylheptan-2-yl)-1-phenylpyrazole-3-carboxamide?
4-methoxy-N-(6-methylheptan-2-yl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(6-methylheptan-2-yl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 46515773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).