4-chloro-1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide

C12H15ClN4O — CID 113234268

IUPAC4-chloro-1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide
SMILESCCCc1cc(NC(=O)c2cc(Cl)cn2C)n[nH]1
InChIInChI=1S/C12H15ClN4O/c1-3-4-9-6-11(16-15-9)14-12(18)10-5-8(13)7-17(10)2/h5-7H,3-4H2,1-2H3,(H2,14,15,16,18)
InChIKeyZVPDJCSSQPXPIG-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.61
Rot. Bonds4

About 4-chloro-1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide

4-chloro-1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide (PubChem CID 113234268) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide
PubChem CID113234268
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name4-chloro-1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide
SMILESCCCc1cc(NC(=O)c2cc(Cl)cn2C)n[nH]1
InChIInChI=1S/C12H15ClN4O/c1-3-4-9-6-11(16-15-9)14-12(18)10-5-8(13)7-17(10)2/h5-7H,3-4H2,1-2H3,(H2,14,15,16,18)
InChIKeyZVPDJCSSQPXPIG-UHFFFAOYSA-N
XLogP2.61
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide
CID 112690410
2,4,6-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115778074
1,3-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-4-carboxamide
CID 113235417
3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide
CID 104616226
4-amino-1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-5-carboxamide
CID 104616173
4-chloro-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrrole-2-carboxamide
CID 157020406
5-methyl-N-(5-propyl-1H-pyrazol-3-yl)furan-3-carboxamide
CID 114821897
2,5-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-carboxamide
CID 113233981
3-chloro-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 104617718
4-chloro-6-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 103803878
2,4,6-trifluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115647444
N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 115747889

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide (CID 113234268) is 4-chloro-1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide is CCCc1cc(NC(=O)c2cc(Cl)cn2C)n[nH]1.
What is the InChIKey of 4-chloro-1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide?
The InChIKey is ZVPDJCSSQPXPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-3-4-9-6-11(16-15-9)14-12(18)10-5-8(13)7-17(10)2/h5-7H,3-4H2,1-2H3,(H2,14,15,16,18).
What are the key properties of 4-chloro-1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide?
4-chloro-1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide has a molecular weight of 266.73 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 113234268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).