N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-ethylpyrrole-2-carboxamide

C12H16N4O — CID 43638949

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C12H16N4O/c1-4-16-7-5-6-10(16)12(17)13-11-8(2)14-15-9(11)3/h5-7H,4H2,1-3H3,(H,13,17)(H,14,15)
InChIKeyHBHDSDHEMFENSQ-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.10
Rot. Bonds3

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-ethylpyrrole-2-carboxamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-ethylpyrrole-2-carboxamide (PubChem CID 43638949) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-1-ethylpyrrole-2-carboxamide
PubChem CID43638949
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C12H16N4O/c1-4-16-7-5-6-10(16)12(17)13-11-8(2)14-15-9(11)3/h5-7H,4H2,1-3H3,(H,13,17)(H,14,15)
InChIKeyHBHDSDHEMFENSQ-UHFFFAOYSA-N
XLogP2.10
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dichloro-2-[(1-ethylpyrrole-2-carbonyl)amino]benzoic acid
CID 107047837
1-ethyl-N-(4-iodophenyl)pyrrole-2-carboxamide
CID 61400251
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide
CID 43546935
1-methyl-N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrrole-2-carboxamide
CID 90937167
3-bromo-2-[(1-ethylpyrrole-2-carbonyl)amino]benzoic acid
CID 63112812
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propylamino)benzamide
CID 62167844
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582921
N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 43399092
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide
CID 43546989
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-ethylthiophene-2-carboxamide
CID 61389198
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenyltriazole-4-carboxamide
CID 43546741
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyrazol-1-ylpropanamide
CID 43546402

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-ethylpyrrole-2-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-ethylpyrrole-2-carboxamide (CID 43638949) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-ethylpyrrole-2-carboxamide is CCn1cccc1C(=O)Nc1c(C)n[nH]c1C.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-ethylpyrrole-2-carboxamide?
The InChIKey is HBHDSDHEMFENSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-4-16-7-5-6-10(16)12(17)13-11-8(2)14-15-9(11)3/h5-7H,4H2,1-3H3,(H,13,17)(H,14,15).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-ethylpyrrole-2-carboxamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-ethylpyrrole-2-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 43638949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).