3-(1-methylpyrrol-2-yl)-1-phenyl-N,N-di(propan-2-yl)pyrazole-5-carboxamide

C21H26N4O — CID 42759279

IUPAC3-(1-methylpyrrol-2-yl)-1-phenyl-N,N-di(propan-2-yl)pyrazole-5-carboxamide
SMILESCC(C)N(C(=O)c1cc(-c2cccn2C)nn1-c1ccccc1)C(C)C
InChIInChI=1S/C21H26N4O/c1-15(2)24(16(3)4)21(26)20-14-18(19-12-9-13-23(19)5)22-25(20)17-10-7-6-8-11-17/h6-16H,1-5H3
InChIKeyBXDKRFBGHXHUQV-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.14
Rot. Bonds5

About 3-(1-methylpyrrol-2-yl)-1-phenyl-N,N-di(propan-2-yl)pyrazole-5-carboxamide

3-(1-methylpyrrol-2-yl)-1-phenyl-N,N-di(propan-2-yl)pyrazole-5-carboxamide (PubChem CID 42759279) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 3-(1-methylpyrrol-2-yl)-1-phenyl-N,N-di(propan-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-methylpyrrol-2-yl)-1-phenyl-N,N-di(propan-2-yl)pyrazole-5-carboxamide
PubChem CID42759279
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name3-(1-methylpyrrol-2-yl)-1-phenyl-N,N-di(propan-2-yl)pyrazole-5-carboxamide
SMILESCC(C)N(C(=O)c1cc(-c2cccn2C)nn1-c1ccccc1)C(C)C
InChIInChI=1S/C21H26N4O/c1-15(2)24(16(3)4)21(26)20-14-18(19-12-9-13-23(19)5)22-25(20)17-10-7-6-8-11-17/h6-16H,1-5H3
InChIKeyBXDKRFBGHXHUQV-UHFFFAOYSA-N
XLogP4.14
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-3-(1-methylpyrrol-2-yl)-N-propan-2-ylpyrazole-5-carboxamide
CID 42758823
1-(4-chlorophenyl)-N-(2-methylpropyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 42758773
1-(4-fluorophenyl)-N-(2-methylpropyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 812253
1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)-N,N-dipropylpyrazole-5-carboxamide
CID 4255211
N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]-3-(1-methylpyrrol-2-yl)-1-phenylpyrazole-5-carboxamide
CID 7328047
N-(3,3-diphenylpropyl)-1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 4266680
[4-(2-methylphenyl)piperazin-1-yl]-[3-(1-methylpyrrol-2-yl)-1-phenylpyrazol-5-yl]methanone
CID 3510138
N-benzhydryl-1-(3-methylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 4564917
3-(1-methylpyrrol-2-yl)-1-(4-nitrophenyl)-N,N-dipropylpyrazole-5-carboxamide
CID 4266683
N-benzhydryl-1-(3,4-dichlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 3429186
N-(3,3-diphenylpropyl)-3-(1-methylpyrrol-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 42759024
N-benzyl-1-(3,4-dichlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 3413806

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrol-2-yl)-1-phenyl-N,N-di(propan-2-yl)pyrazole-5-carboxamide?
The IUPAC name of 3-(1-methylpyrrol-2-yl)-1-phenyl-N,N-di(propan-2-yl)pyrazole-5-carboxamide (CID 42759279) is 3-(1-methylpyrrol-2-yl)-1-phenyl-N,N-di(propan-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(1-methylpyrrol-2-yl)-1-phenyl-N,N-di(propan-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(1-methylpyrrol-2-yl)-1-phenyl-N,N-di(propan-2-yl)pyrazole-5-carboxamide is CC(C)N(C(=O)c1cc(-c2cccn2C)nn1-c1ccccc1)C(C)C.
What is the InChIKey of 3-(1-methylpyrrol-2-yl)-1-phenyl-N,N-di(propan-2-yl)pyrazole-5-carboxamide?
The InChIKey is BXDKRFBGHXHUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-15(2)24(16(3)4)21(26)20-14-18(19-12-9-13-23(19)5)22-25(20)17-10-7-6-8-11-17/h6-16H,1-5H3.
What are the key properties of 3-(1-methylpyrrol-2-yl)-1-phenyl-N,N-di(propan-2-yl)pyrazole-5-carboxamide?
3-(1-methylpyrrol-2-yl)-1-phenyl-N,N-di(propan-2-yl)pyrazole-5-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrol-2-yl)-1-phenyl-N,N-di(propan-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 42759279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).