2-(2-chlorophenyl)-5-[(3R)-3-phenylpyrrolidin-1-yl]triazole-4-carboxylic acid

C19H17ClN4O2 — CID 129450540

IUPAC2-(2-chlorophenyl)-5-[(3R)-3-phenylpyrrolidin-1-yl]triazole-4-carboxylic acid
SMILESO=C(O)c1nn(-c2ccccc2Cl)nc1N1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C19H17ClN4O2/c20-15-8-4-5-9-16(15)24-21-17(19(25)26)18(22-24)23-11-10-14(12-23)13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H,25,26)/t14-/m0/s1
InChIKeyQCZYBOYOLMHSIC-AWEZNQCLSA-N
MW368.82 g/mol
LogP3.61
Rot. Bonds4

About 2-(2-chlorophenyl)-5-[(3R)-3-phenylpyrrolidin-1-yl]triazole-4-carboxylic acid

2-(2-chlorophenyl)-5-[(3R)-3-phenylpyrrolidin-1-yl]triazole-4-carboxylic acid (PubChem CID 129450540) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-[(3R)-3-phenylpyrrolidin-1-yl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-[(3R)-3-phenylpyrrolidin-1-yl]triazole-4-carboxylic acid
PubChem CID129450540
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name2-(2-chlorophenyl)-5-[(3R)-3-phenylpyrrolidin-1-yl]triazole-4-carboxylic acid
SMILESO=C(O)c1nn(-c2ccccc2Cl)nc1N1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C19H17ClN4O2/c20-15-8-4-5-9-16(15)24-21-17(19(25)26)18(22-24)23-11-10-14(12-23)13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H,25,26)/t14-/m0/s1
InChIKeyQCZYBOYOLMHSIC-AWEZNQCLSA-N
XLogP3.61
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-5-[(3R)-3-phenylpyrrolidin-1-yl]triazole-4-carboxylic acid
CID 129450532
2-(4-ethylphenyl)-5-[(3S)-3-phenylpyrrolidin-1-yl]triazole-4-carboxylic acid
CID 129450576
(3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 97013871
2-(2-fluorophenyl)-5-[(3S)-3-phenylpyrrolidin-1-yl]triazole-4-carbonitrile
CID 129450513
3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carboxylic acid
CID 80516938
2-(2-nitrophenyl)-5-[(3S)-3-phenylpyrrolidin-1-yl]triazole-4-carbonitrile
CID 129450399
2-chloro-4-(3-phenylpyrrolidin-1-yl)benzoic acid
CID 62946081
4-chloro-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine
CID 78984004
2-(4-phenylpiperidin-1-yl)benzoic acid
CID 125468631
2-(2,4-dimethylphenyl)-5-[(3R)-3-phenylpyrrolidin-1-yl]triazole-4-carbonitrile
CID 129450419
2-chloro-5-(3-phenylazetidin-1-yl)benzoic acid
CID 79695040
3-chloro-4-(3-phenylpyrrolidin-1-yl)benzenecarbothioamide
CID 63088319

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-[(3R)-3-phenylpyrrolidin-1-yl]triazole-4-carboxylic acid?
The IUPAC name of 2-(2-chlorophenyl)-5-[(3R)-3-phenylpyrrolidin-1-yl]triazole-4-carboxylic acid (CID 129450540) is 2-(2-chlorophenyl)-5-[(3R)-3-phenylpyrrolidin-1-yl]triazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-5-[(3R)-3-phenylpyrrolidin-1-yl]triazole-4-carboxylic acid?
The canonical SMILES for 2-(2-chlorophenyl)-5-[(3R)-3-phenylpyrrolidin-1-yl]triazole-4-carboxylic acid is O=C(O)c1nn(-c2ccccc2Cl)nc1N1CC[C@H](c2ccccc2)C1.
What is the InChIKey of 2-(2-chlorophenyl)-5-[(3R)-3-phenylpyrrolidin-1-yl]triazole-4-carboxylic acid?
The InChIKey is QCZYBOYOLMHSIC-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c20-15-8-4-5-9-16(15)24-21-17(19(25)26)18(22-24)23-11-10-14(12-23)13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H,25,26)/t14-/m0/s1.
What are the key properties of 2-(2-chlorophenyl)-5-[(3R)-3-phenylpyrrolidin-1-yl]triazole-4-carboxylic acid?
2-(2-chlorophenyl)-5-[(3R)-3-phenylpyrrolidin-1-yl]triazole-4-carboxylic acid has a molecular weight of 368.82 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-[(3R)-3-phenylpyrrolidin-1-yl]triazole-4-carboxylic acid is sourced from PubChem (CID 129450540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).