(2R)-1-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid

C15H16ClN3O2 — CID 91782065

IUPAC(2R)-1-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1Cc1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C15H16ClN3O2/c16-12-4-1-2-5-13(12)19-10-11(8-17-19)9-18-7-3-6-14(18)15(20)21/h1-2,4-5,8,10,14H,3,6-7,9H2,(H,20,21)/t14-/m1/s1
InChIKeyKIPMZKJUQRWSFD-CQSZACIVSA-N
MW305.76 g/mol
LogP2.57
Rot. Bonds4

About (2R)-1-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid

(2R)-1-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid (PubChem CID 91782065) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is (2R)-1-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
PubChem CID91782065
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name(2R)-1-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1Cc1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C15H16ClN3O2/c16-12-4-1-2-5-13(12)19-10-11(8-17-19)9-18-7-3-6-14(18)15(20)21/h1-2,4-5,8,10,14H,3,6-7,9H2,(H,20,21)/t14-/m1/s1
InChIKeyKIPMZKJUQRWSFD-CQSZACIVSA-N
XLogP2.57
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]azetidine-2-carboxylic acid
CID 124851906
(2R)-1-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperidine-2-carboxylic acid
CID 86784862
N-cyclopropyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 78851425
(2S)-1-[(3,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid
CID 51441049
1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]piperidine-2-carboxylic acid
CID 122040486
(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]azepane-2-carboxylic acid
CID 65069711
4-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]thiomorpholine
CID 77097579
1-(pyridin-4-ylmethyl)azepane-2-carboxylic acid
CID 64562578
(4aR,7aS)-4-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-1-methyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70704984
1-[(3-chlorophenyl)methyl]azocane-2-carboxylic acid
CID 114239898
1-[(4-bromophenyl)methyl]piperidine-2-carboxylic acid
CID 4021400

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid (CID 91782065) is (2R)-1-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1Cc1cnn(-c2ccccc2Cl)c1.
What is the InChIKey of (2R)-1-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is KIPMZKJUQRWSFD-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-12-4-1-2-5-13(12)19-10-11(8-17-19)9-18-7-3-6-14(18)15(20)21/h1-2,4-5,8,10,14H,3,6-7,9H2,(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-1-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 305.76 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 91782065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).