(2R,4R)-1-[[1-[4-chloro-2-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide

C14H14ClF3N6O2 — CID 97010755

IUPAC(2R,4R)-1-[[1-[4-chloro-2-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1C[C@@H](O)CN1Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H14ClF3N6O2/c15-7-1-2-10(9(3-7)14(16,17)18)24-12(20-21-22-24)6-23-5-8(25)4-11(23)13(19)26/h1-3,8,11,25H,4-6H2,(H2,19,26)/t8-,11-/m1/s1
InChIKeyFTSGGRKWNOFKOT-LDYMZIIASA-N
MW390.75 g/mol
LogP0.75
Rot. Bonds4

About (2R,4R)-1-[[1-[4-chloro-2-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide

(2R,4R)-1-[[1-[4-chloro-2-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 97010755) has the molecular formula C14H14ClF3N6O2 and a molecular weight of 390.75 g/mol. Its IUPAC name is (2R,4R)-1-[[1-[4-chloro-2-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-1-[[1-[4-chloro-2-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID97010755
Molecular FormulaC14H14ClF3N6O2
Molecular Weight390.75 g/mol
Exact Mass390.08
IUPAC Name(2R,4R)-1-[[1-[4-chloro-2-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1C[C@@H](O)CN1Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H14ClF3N6O2/c15-7-1-2-10(9(3-7)14(16,17)18)24-12(20-21-22-24)6-23-5-8(25)4-11(23)13(19)26/h1-3,8,11,25H,4-6H2,(H2,19,26)/t8-,11-/m1/s1
InChIKeyFTSGGRKWNOFKOT-LDYMZIIASA-N
XLogP0.75
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.75
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R,4R)-1-[[1-[4-chloro-2-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[1-[4-chloro-2-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidine-3-carboxylic acid
CID 119903962
4-[1-[[1-[4-chloro-2-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-yl]-3-methylmorpholine
CID 154850239
1-[4-chloro-2-(trifluoromethyl)phenyl]-5-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]tetrazole
CID 55989184
9-[[1-[4-chloro-2-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 139008508
1-[4-chloro-2-(trifluoromethyl)phenyl]-5-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]tetrazole
CID 60558791
2-[[1-[4-chloro-2-(trifluoromethyl)phenyl]tetrazol-5-yl]methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 60558960
1-[4-chloro-2-(trifluoromethyl)phenyl]-5-[(3-methyl-4-nitrophenoxy)methyl]tetrazole
CID 60561507
1-[5-[[1-[4-chloro-2-(trifluoromethyl)phenyl]tetrazol-5-yl]methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]piperidine
CID 55988282
2-[1-[4-chloro-2-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]acetic acid
CID 43671455
1-[(2,4-dichlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351539
[1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine
CID 62761189
2-[(3S)-1-[4-chloro-2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]oxyacetic acid
CID 58466083

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-[[1-[4-chloro-2-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-1-[[1-[4-chloro-2-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide (CID 97010755) is (2R,4R)-1-[[1-[4-chloro-2-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-1-[[1-[4-chloro-2-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-1-[[1-[4-chloro-2-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide is NC(=O)[C@H]1C[C@@H](O)CN1Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of (2R,4R)-1-[[1-[4-chloro-2-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is FTSGGRKWNOFKOT-LDYMZIIASA-N. The full InChI is InChI=1S/C14H14ClF3N6O2/c15-7-1-2-10(9(3-7)14(16,17)18)24-12(20-21-22-24)6-23-5-8(25)4-11(23)13(19)26/h1-3,8,11,25H,4-6H2,(H2,19,26)/t8-,11-/m1/s1.
What are the key properties of (2R,4R)-1-[[1-[4-chloro-2-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
(2R,4R)-1-[[1-[4-chloro-2-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 390.75 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-[[1-[4-chloro-2-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 97010755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).