5-chloro-1-methyl-N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]indole-2-carboxamide

C18H18ClF3N4O — CID 166357837

IUPAC5-chloro-1-methyl-N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]indole-2-carboxamide
SMILESCC(CNC(=O)c1cc2cc(Cl)ccc2n1C)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C18H18ClF3N4O/c1-11(10-26-6-5-16(24-26)18(20,21)22)9-23-17(27)15-8-12-7-13(19)3-4-14(12)25(15)2/h3-8,11H,9-10H2,1-2H3,(H,23,27)
InChIKeyZFLMMWJLCANSFQ-UHFFFAOYSA-N
MW398.82 g/mol
LogP4.11
Rot. Bonds5

About 5-chloro-1-methyl-N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]indole-2-carboxamide

5-chloro-1-methyl-N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]indole-2-carboxamide (PubChem CID 166357837) has the molecular formula C18H18ClF3N4O and a molecular weight of 398.82 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]indole-2-carboxamide
PubChem CID166357837
Molecular FormulaC18H18ClF3N4O
Molecular Weight398.82 g/mol
Exact Mass398.11
IUPAC Name5-chloro-1-methyl-N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]indole-2-carboxamide
SMILESCC(CNC(=O)c1cc2cc(Cl)ccc2n1C)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C18H18ClF3N4O/c1-11(10-26-6-5-16(24-26)18(20,21)22)9-23-17(27)15-8-12-7-13(19)3-4-14(12)25(15)2/h3-8,11H,9-10H2,1-2H3,(H,23,27)
InChIKeyZFLMMWJLCANSFQ-UHFFFAOYSA-N
XLogP4.11
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.82
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(5-chloro-1-methylindole-2-carbonyl)amino]methyl]-4,4-dimethylpentanoate
CID 166342088
6-chloro-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylindole-2-carboxamide
CID 99949687
5-chloro-1-methyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]indole-2-carboxamide
CID 67290649
2-[[(2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]propanoyl]amino]acetic acid
CID 7070087
2-[2-[(5-chloro-1-methylindole-2-carbonyl)amino]propanoylamino]-3-methylbutanoic acid
CID 4839787
(2S,3S)-2-[[(2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]propanoyl]amino]-3-methylpentanoic acid
CID 25427466
N-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530800
methyl 5-chloro-1-methylindole-2-carboxylate
CID 4777715
N-[(2R)-2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
CID 29092452
3-[[(2S,3R)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-3-methylpentanoyl]amino]propanoate
CID 7633390
(2S)-2-[[(2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]propanoyl]amino]-4-methylpentanoate
CID 7070152
1-(5-chloro-1-methylindol-2-yl)ethanone;ethane
CID 145281717

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]indole-2-carboxamide?
The IUPAC name of 5-chloro-1-methyl-N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]indole-2-carboxamide (CID 166357837) is 5-chloro-1-methyl-N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]indole-2-carboxamide.
What is the SMILES notation for 5-chloro-1-methyl-N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]indole-2-carboxamide?
The canonical SMILES for 5-chloro-1-methyl-N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]indole-2-carboxamide is CC(CNC(=O)c1cc2cc(Cl)ccc2n1C)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 5-chloro-1-methyl-N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]indole-2-carboxamide?
The InChIKey is ZFLMMWJLCANSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N4O/c1-11(10-26-6-5-16(24-26)18(20,21)22)9-23-17(27)15-8-12-7-13(19)3-4-14(12)25(15)2/h3-8,11H,9-10H2,1-2H3,(H,23,27).
What are the key properties of 5-chloro-1-methyl-N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]indole-2-carboxamide?
5-chloro-1-methyl-N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]indole-2-carboxamide has a molecular weight of 398.82 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]indole-2-carboxamide is sourced from PubChem (CID 166357837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).