3-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)-1H-pyrazole-5-carboxamide

C21H23N3O2 — CID 20918247

IUPAC3-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC(C)CCc3ccccc3)[nH]n2)cc1
InChIInChI=1S/C21H23N3O2/c1-15(8-9-16-6-4-3-5-7-16)22-21(25)20-14-19(23-24-20)17-10-12-18(26-2)13-11-17/h3-7,10-15H,8-9H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyCDQYSKMSWVSXDG-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.84
Rot. Bonds7

About 3-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)-1H-pyrazole-5-carboxamide

3-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 20918247) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID20918247
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC(C)CCc3ccccc3)[nH]n2)cc1
InChIInChI=1S/C21H23N3O2/c1-15(8-9-16-6-4-3-5-7-16)22-21(25)20-14-19(23-24-20)17-10-12-18(26-2)13-11-17/h3-7,10-15H,8-9H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyCDQYSKMSWVSXDG-UHFFFAOYSA-N
XLogP3.84
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-3-phenylpropan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 91823512
3-(4-methoxyphenyl)-N'-(4-phenylbut-1-en-2-yl)-1H-pyrazole-5-carbohydrazide
CID 2084076
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918238
N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46857010
N-[(E)-(4-methoxyphenyl)methylideneamino]-3-[4-(2-phenylethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 6889139
3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 20918235
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 45355171
3-(4-methoxyphenyl)-N-[(2S)-2-(N-methylanilino)propyl]-1H-pyrazole-5-carboxamide
CID 97135558
2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7901361
3-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 45030575
methyl 3-phenyl-2-[[3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoate
CID 58748843

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)-1H-pyrazole-5-carboxamide (CID 20918247) is 3-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NC(C)CCc3ccccc3)[nH]n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is CDQYSKMSWVSXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15(8-9-16-6-4-3-5-7-16)22-21(25)20-14-19(23-24-20)17-10-12-18(26-2)13-11-17/h3-7,10-15H,8-9H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 3-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)-1H-pyrazole-5-carboxamide?
3-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 20918247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).