4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-propylpyrrole-2-carboxamide

C13H17ClN4O — CID 104620364

IUPAC4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Cl)cc1C(=O)Nc1[nH]ncc1CC
InChIInChI=1S/C13H17ClN4O/c1-3-5-18-8-10(14)6-11(18)13(19)16-12-9(4-2)7-15-17-12/h6-8H,3-5H2,1-2H3,(H2,15,16,17,19)
InChIKeyOFDKQLUESXLTIG-UHFFFAOYSA-N
MW280.76 g/mol
LogP3.09
Rot. Bonds5

About 4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-propylpyrrole-2-carboxamide

4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-propylpyrrole-2-carboxamide (PubChem CID 104620364) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-propylpyrrole-2-carboxamide
PubChem CID104620364
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Cl)cc1C(=O)Nc1[nH]ncc1CC
InChIInChI=1S/C13H17ClN4O/c1-3-5-18-8-10(14)6-11(18)13(19)16-12-9(4-2)7-15-17-12/h6-8H,3-5H2,1-2H3,(H2,15,16,17,19)
InChIKeyOFDKQLUESXLTIG-UHFFFAOYSA-N
XLogP3.09
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethyl-1H-pyrazol-5-yl)-4-nitro-1-propylpyrrole-2-carboxamide
CID 104620293
4,5-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-methylpyrrole-2-carboxamide
CID 112697051
4-amino-N-(4-ethyl-1H-pyrazol-5-yl)-1-methylpyrrole-2-carboxamide
CID 104616582
N-(4-bromo-2-ethylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide
CID 81288414
4-chloro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrrole-2-carboxamide
CID 61283741
N-(4-ethyl-1H-pyrazol-5-yl)-1-methylimidazole-4-carboxamide
CID 103862812
4-amino-N-(4-ethyl-1H-pyrazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 104616606
N-(4-bromo-2-methylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide
CID 43639788
4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 43639802
3-bromo-5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
CID 113286320
N-(4-bromo-2,6-difluorophenyl)-4-chloro-1-propylpyrrole-2-carboxamide
CID 65498938
4-chloro-N-(6-fluoro-2-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 104820532

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-propylpyrrole-2-carboxamide (CID 104620364) is 4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-propylpyrrole-2-carboxamide is CCCn1cc(Cl)cc1C(=O)Nc1[nH]ncc1CC.
What is the InChIKey of 4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-propylpyrrole-2-carboxamide?
The InChIKey is OFDKQLUESXLTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c1-3-5-18-8-10(14)6-11(18)13(19)16-12-9(4-2)7-15-17-12/h6-8H,3-5H2,1-2H3,(H2,15,16,17,19).
What are the key properties of 4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-propylpyrrole-2-carboxamide?
4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-propylpyrrole-2-carboxamide has a molecular weight of 280.76 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 104620364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).