5-(4-methoxyphenyl)-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide

C20H21N3O2 — CID 93013913

IUPAC5-(4-methoxyphenyl)-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3)nn2C)cc1
InChIInChI=1S/C20H21N3O2/c1-14(15-7-5-4-6-8-15)21-20(24)18-13-19(23(2)22-18)16-9-11-17(25-3)12-10-16/h4-14H,1-3H3,(H,21,24)/t14-/m0/s1
InChIKeyVLQHRWQRLCCBNQ-AWEZNQCLSA-N
MW335.41 g/mol
LogP3.59
Rot. Bonds5

About 5-(4-methoxyphenyl)-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide

5-(4-methoxyphenyl)-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide (PubChem CID 93013913) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
PubChem CID93013913
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name5-(4-methoxyphenyl)-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3)nn2C)cc1
InChIInChI=1S/C20H21N3O2/c1-14(15-7-5-4-6-8-15)21-20(24)18-13-19(23(2)22-18)16-9-11-17(25-3)12-10-16/h4-14H,1-3H3,(H,21,24)/t14-/m0/s1
InChIKeyVLQHRWQRLCCBNQ-AWEZNQCLSA-N
XLogP3.59
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 46104570
5-(4-tert-butylphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 46105004
N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 92614454
N-tert-butyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336303
5-(3-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 46171148
5-amino-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 122171416
5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 7219874
5-(4-methoxyphenyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide
CID 110336337
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110302080
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide
CID 977346
3-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,2,4-thiadiazole-5-carboxamide
CID 54133730
N-[(1S)-1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 39853258

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide (CID 93013913) is 5-(4-methoxyphenyl)-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide is COc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3)nn2C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide?
The InChIKey is VLQHRWQRLCCBNQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14(15-7-5-4-6-8-15)21-20(24)18-13-19(23(2)22-18)16-9-11-17(25-3)12-10-16/h4-14H,1-3H3,(H,21,24)/t14-/m0/s1.
What are the key properties of 5-(4-methoxyphenyl)-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide?
5-(4-methoxyphenyl)-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 93013913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).