3-(3-methoxyphenyl)-N-[(2S)-3-methylbutan-2-yl]-1-(3-methylphenyl)pyrazole-5-carboxamide

C23H27N3O2 — CID 7361497

IUPAC3-(3-methoxyphenyl)-N-[(2S)-3-methylbutan-2-yl]-1-(3-methylphenyl)pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N[C@@H](C)C(C)C)n(-c3cccc(C)c3)n2)c1
InChIInChI=1S/C23H27N3O2/c1-15(2)17(4)24-23(27)22-14-21(18-9-7-11-20(13-18)28-5)25-26(22)19-10-6-8-16(3)12-19/h6-15,17H,1-5H3,(H,24,27)/t17-/m0/s1
InChIKeyGXRKTHICFQGDAY-KRWDZBQOSA-N
MW377.49 g/mol
LogP4.63
Rot. Bonds6

About 3-(3-methoxyphenyl)-N-[(2S)-3-methylbutan-2-yl]-1-(3-methylphenyl)pyrazole-5-carboxamide

3-(3-methoxyphenyl)-N-[(2S)-3-methylbutan-2-yl]-1-(3-methylphenyl)pyrazole-5-carboxamide (PubChem CID 7361497) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[(2S)-3-methylbutan-2-yl]-1-(3-methylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[(2S)-3-methylbutan-2-yl]-1-(3-methylphenyl)pyrazole-5-carboxamide
PubChem CID7361497
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name3-(3-methoxyphenyl)-N-[(2S)-3-methylbutan-2-yl]-1-(3-methylphenyl)pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N[C@@H](C)C(C)C)n(-c3cccc(C)c3)n2)c1
InChIInChI=1S/C23H27N3O2/c1-15(2)17(4)24-23(27)22-14-21(18-9-7-11-20(13-18)28-5)25-26(22)19-10-6-8-16(3)12-19/h6-15,17H,1-5H3,(H,24,27)/t17-/m0/s1
InChIKeyGXRKTHICFQGDAY-KRWDZBQOSA-N
XLogP4.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutan-2-yl)-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
CID 3975682
3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxylate
CID 6946121
1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 42758329
N-[(2R)-butan-2-yl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 7431429
N-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 3882518
N-tert-butyl-3-(4-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 42758673
(4-ethylpiperazin-4-ium-1-yl)-[3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl]methanone
CID 7218409
3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 812061
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide
CID 4553947
N-(2-methoxyethyl)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 3359659
1-(3-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine
CID 114798653
N-[(2R)-3-methylbutan-2-yl]-1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxamide
CID 7397683

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[(2S)-3-methylbutan-2-yl]-1-(3-methylphenyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-[(2S)-3-methylbutan-2-yl]-1-(3-methylphenyl)pyrazole-5-carboxamide (CID 7361497) is 3-(3-methoxyphenyl)-N-[(2S)-3-methylbutan-2-yl]-1-(3-methylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[(2S)-3-methylbutan-2-yl]-1-(3-methylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[(2S)-3-methylbutan-2-yl]-1-(3-methylphenyl)pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)N[C@@H](C)C(C)C)n(-c3cccc(C)c3)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[(2S)-3-methylbutan-2-yl]-1-(3-methylphenyl)pyrazole-5-carboxamide?
The InChIKey is GXRKTHICFQGDAY-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-15(2)17(4)24-23(27)22-14-21(18-9-7-11-20(13-18)28-5)25-26(22)19-10-6-8-16(3)12-19/h6-15,17H,1-5H3,(H,24,27)/t17-/m0/s1.
What are the key properties of 3-(3-methoxyphenyl)-N-[(2S)-3-methylbutan-2-yl]-1-(3-methylphenyl)pyrazole-5-carboxamide?
3-(3-methoxyphenyl)-N-[(2S)-3-methylbutan-2-yl]-1-(3-methylphenyl)pyrazole-5-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-[(2S)-3-methylbutan-2-yl]-1-(3-methylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 7361497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).