N-[(2R)-butan-2-yl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide

C22H25N3O2 — CID 7431429

IUPACN-[(2R)-butan-2-yl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
SMILESCC[C@@H](C)NC(=O)c1cc(-c2cccc(OC)c2)nn1-c1ccc(C)cc1
InChIInChI=1S/C22H25N3O2/c1-5-16(3)23-22(26)21-14-20(17-7-6-8-19(13-17)27-4)24-25(21)18-11-9-15(2)10-12-18/h6-14,16H,5H2,1-4H3,(H,23,26)/t16-/m1/s1
InChIKeyOHLBJPZVRBTDPH-MRXNPFEDSA-N
MW363.46 g/mol
LogP4.38
Rot. Bonds6

About N-[(2R)-butan-2-yl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide

N-[(2R)-butan-2-yl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide (PubChem CID 7431429) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
PubChem CID7431429
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[(2R)-butan-2-yl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
SMILESCC[C@@H](C)NC(=O)c1cc(-c2cccc(OC)c2)nn1-c1ccc(C)cc1
InChIInChI=1S/C22H25N3O2/c1-5-16(3)23-22(26)21-14-20(17-7-6-8-19(13-17)27-4)24-25(21)18-11-9-15(2)10-12-18/h6-14,16H,5H2,1-4H3,(H,23,26)/t16-/m1/s1
InChIKeyOHLBJPZVRBTDPH-MRXNPFEDSA-N
XLogP4.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxyphenyl)-N-[(2S)-3-methylbutan-2-yl]-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 7361497
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 42755464
N-(2-methoxyethyl)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 3359659
N-[(2R)-butan-2-yl]-3-(4-methoxyphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 7417753
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-5-carboxamide
CID 7397387
N-butan-2-yl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42759382
N-[(2R)-butan-2-yl]-3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 7412332
3-(4-methoxyphenyl)-1-(4-methylphenyl)-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 42755289
ethyl 1-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperidine-4-carboxylate
CID 42755460
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide
CID 4553947
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide
CID 42755478
(4-benzylpiperazin-1-yl)-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]methanone
CID 42755463

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide (CID 7431429) is N-[(2R)-butan-2-yl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide is CC[C@@H](C)NC(=O)c1cc(-c2cccc(OC)c2)nn1-c1ccc(C)cc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide?
The InChIKey is OHLBJPZVRBTDPH-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-5-16(3)23-22(26)21-14-20(17-7-6-8-19(13-17)27-4)24-25(21)18-11-9-15(2)10-12-18/h6-14,16H,5H2,1-4H3,(H,23,26)/t16-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide?
N-[(2R)-butan-2-yl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 7431429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).