N-[(4-ethylphenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C19H22N4O — CID 38045932

IUPACN-[(4-ethylphenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2cnn(C)c2-n2cccc2)cc1
InChIInChI=1S/C19H22N4O/c1-4-15-7-9-16(10-8-15)14-21(2)19(24)17-13-20-22(3)18(17)23-11-5-6-12-23/h5-13H,4,14H2,1-3H3
InChIKeyJSLXOXQJQXTLKU-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.05
Rot. Bonds5

About N-[(4-ethylphenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide

N-[(4-ethylphenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 38045932) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID38045932
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[(4-ethylphenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2cnn(C)c2-n2cccc2)cc1
InChIInChI=1S/C19H22N4O/c1-4-15-7-9-16(10-8-15)14-21(2)19(24)17-13-20-22(3)18(17)23-11-5-6-12-23/h5-13H,4,14H2,1-3H3
InChIKeyJSLXOXQJQXTLKU-UHFFFAOYSA-N
XLogP3.05
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38074949
N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 31852382
N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38230240
N-benzyl-N-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 6623611
N-(5-hydroxypentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 107202135
methyl 3-[methyl-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoate
CID 61242474
N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38107143
N-[[4-(aminomethyl)phenyl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide
CID 60922468
N-[2-[[2-(4-tert-butylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 166185092
5-amino-N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 115330494
4-[[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]methyl]benzoic acid
CID 60978715
4-[[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
CID 100634698

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 38045932) is N-[(4-ethylphenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide is CCc1ccc(CN(C)C(=O)c2cnn(C)c2-n2cccc2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is JSLXOXQJQXTLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-4-15-7-9-16(10-8-15)14-21(2)19(24)17-13-20-22(3)18(17)23-11-5-6-12-23/h5-13H,4,14H2,1-3H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-[(4-ethylphenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 38045932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).