N-(3-ethylphenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide

C16H16N4O — CID 136665405

IUPACN-(3-ethylphenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCCc1cccc(NC(=O)c2cc(-c3ccc[nH]3)n[nH]2)c1
InChIInChI=1S/C16H16N4O/c1-2-11-5-3-6-12(9-11)18-16(21)15-10-14(19-20-15)13-7-4-8-17-13/h3-10,17H,2H2,1H3,(H,18,21)(H,19,20)
InChIKeyVIJALEYTOCYCNM-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.22
Rot. Bonds4

About N-(3-ethylphenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide

N-(3-ethylphenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 136665405) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(3-ethylphenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID136665405
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-(3-ethylphenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCCc1cccc(NC(=O)c2cc(-c3ccc[nH]3)n[nH]2)c1
InChIInChI=1S/C16H16N4O/c1-2-11-5-3-6-12(9-11)18-16(21)15-10-14(19-20-15)13-7-4-8-17-13/h3-10,17H,2H2,1H3,(H,18,21)(H,19,20)
InChIKeyVIJALEYTOCYCNM-UHFFFAOYSA-N
XLogP3.22
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide
CID 137169810
N-(3-ethylphenyl)-1H-indazole-6-carboxamide
CID 60715268
methyl 4-[(3-ethylphenyl)carbamoyl]benzoate
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CID 43532955
N-(3-ethylphenyl)-1H-indole-5-carboxamide
CID 63717864
3-(3,4-dichlorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19513630
N-(3-ethylphenyl)-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 17449995
N-(3-ethylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide
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N-(3-ethylphenyl)-4-methylsulfonylbenzamide
CID 26880057
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514551

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide (CID 136665405) is N-(3-ethylphenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide is CCc1cccc(NC(=O)c2cc(-c3ccc[nH]3)n[nH]2)c1.
What is the InChIKey of N-(3-ethylphenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is VIJALEYTOCYCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-11-5-3-6-12(9-11)18-16(21)15-10-14(19-20-15)13-7-4-8-17-13/h3-10,17H,2H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-(3-ethylphenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide?
N-(3-ethylphenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 136665405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).