N-butan-2-yl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

C19H22N4O — CID 20936756

IUPACN-butan-2-yl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCCC(C)NC(=O)c1cnn(-c2cccc(C)c2)c1-n1cccc1
InChIInChI=1S/C19H22N4O/c1-4-15(3)21-18(24)17-13-20-23(16-9-7-8-14(2)12-16)19(17)22-10-5-6-11-22/h5-13,15H,4H2,1-3H3,(H,21,24)
InChIKeyLTKAHZIKNSSOIZ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.50
Rot. Bonds5

About N-butan-2-yl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

N-butan-2-yl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 20936756) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-butan-2-yl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID20936756
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-butan-2-yl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCCC(C)NC(=O)c1cnn(-c2cccc(C)c2)c1-n1cccc1
InChIInChI=1S/C19H22N4O/c1-4-15(3)21-18(24)17-13-20-23(16-9-7-8-14(2)12-16)19(17)22-10-5-6-11-22/h5-13,15H,4H2,1-3H3,(H,21,24)
InChIKeyLTKAHZIKNSSOIZ-UHFFFAOYSA-N
XLogP3.50
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 40660594
N-[(2S)-butan-2-yl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 26745598
1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxylic acid
CID 46261236
N-(2-ethylphenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936768
1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 53015687
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936812
N-[2-(dipropylamino)ethyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936842
N-(4-fluorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936831
N-(2-chlorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936757
azepan-1-yl-[1-(3-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 20936773
N-butan-2-yl-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 46671572
N-(4-methylphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20885984

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 20936756) is N-butan-2-yl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is CCC(C)NC(=O)c1cnn(-c2cccc(C)c2)c1-n1cccc1.
What is the InChIKey of N-butan-2-yl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is LTKAHZIKNSSOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-4-15(3)21-18(24)17-13-20-23(16-9-7-8-14(2)12-16)19(17)22-10-5-6-11-22/h5-13,15H,4H2,1-3H3,(H,21,24).
What are the key properties of N-butan-2-yl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-butan-2-yl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20936756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).