(2R)-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride

C15H18ClN3O2 — CID 119913872

IUPAC(2R)-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@H]1CCCN1Cc1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H17N3O2.ClH/c19-15(20)14-7-4-9-17(14)11-12-8-10-18(16-12)13-5-2-1-3-6-13;/h1-3,5-6,8,10,14H,4,7,9,11H2,(H,19,20);1H/t14-;/m1./s1
InChIKeyJCMUEWYEJBGBBG-PFEQFJNWSA-N
MW307.78 g/mol
LogP2.34
Rot. Bonds4

About (2R)-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride

(2R)-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 119913872) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is (2R)-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID119913872
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name(2R)-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@H]1CCCN1Cc1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H17N3O2.ClH/c19-15(20)14-7-4-9-17(14)11-12-8-10-18(16-12)13-5-2-1-3-6-13;/h1-3,5-6,8,10,14H,4,7,9,11H2,(H,19,20);1H/t14-;/m1./s1
InChIKeyJCMUEWYEJBGBBG-PFEQFJNWSA-N
XLogP2.34
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-methylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 82868830
1-[(1-phenylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid
CID 62885515
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 64783829
(2R)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 40787079
(2R)-1-(1-phenylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 78921319
1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid
CID 3310789
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]azepane-2-carboxylic acid
CID 64784233
(2R)-1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
CID 119914161
1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-2-yl]ethanamine
CID 63256045
(2R)-1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 97158502
1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 75398987
(2R)-1-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 170899024

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2R)-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride (CID 119913872) is (2R)-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2R)-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2R)-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)[C@H]1CCCN1Cc1ccn(-c2ccccc2)n1.
What is the InChIKey of (2R)-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is JCMUEWYEJBGBBG-PFEQFJNWSA-N. The full InChI is InChI=1S/C15H17N3O2.ClH/c19-15(20)14-7-4-9-17(14)11-12-8-10-18(16-12)13-5-2-1-3-6-13;/h1-3,5-6,8,10,14H,4,7,9,11H2,(H,19,20);1H/t14-;/m1./s1.
What are the key properties of (2R)-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
(2R)-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 307.78 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 119913872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).