4-chloro-1-methyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide

C11H14ClN5O — CID 129478238

IUPAC4-chloro-1-methyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide
SMILESC[C@H](NC(=O)c1cc(Cl)cn1C)c1ncnn1C
InChIInChI=1S/C11H14ClN5O/c1-7(10-13-6-14-17(10)3)15-11(18)9-4-8(12)5-16(9)2/h4-7H,1-3H3,(H,15,18)/t7-/m0/s1
InChIKeyFTHNVIAIXKXXST-ZETCQYMHSA-N
MW267.72 g/mol
LogP1.30
Rot. Bonds3

About 4-chloro-1-methyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide

4-chloro-1-methyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide (PubChem CID 129478238) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide
PubChem CID129478238
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name4-chloro-1-methyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide
SMILESC[C@H](NC(=O)c1cc(Cl)cn1C)c1ncnn1C
InChIInChI=1S/C11H14ClN5O/c1-7(10-13-6-14-17(10)3)15-11(18)9-4-8(12)5-16(9)2/h4-7H,1-3H3,(H,15,18)/t7-/m0/s1
InChIKeyFTHNVIAIXKXXST-ZETCQYMHSA-N
XLogP1.30
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-methyl-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrole-2-carboxamide
CID 125437179
4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide
CID 79246119
3,4-dimethoxy-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 129478499
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-carboxamide
CID 129478206
4-chloro-1-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
CID 31136747
1-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 95122495
6-methoxy-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
CID 124755292
4-bromo-N-[1-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide
CID 60698295
4-chloro-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 126448965
4-chloro-N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 126448966
(2R)-2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820741
(2S)-2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820326

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide (CID 129478238) is 4-chloro-1-methyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide is C[C@H](NC(=O)c1cc(Cl)cn1C)c1ncnn1C.
What is the InChIKey of 4-chloro-1-methyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide?
The InChIKey is FTHNVIAIXKXXST-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-7(10-13-6-14-17(10)3)15-11(18)9-4-8(12)5-16(9)2/h4-7H,1-3H3,(H,15,18)/t7-/m0/s1.
What are the key properties of 4-chloro-1-methyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide?
4-chloro-1-methyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide has a molecular weight of 267.72 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 129478238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).