(2R)-1-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxylic acid

C17H21N3O2 — CID 119913895

IUPAC(2R)-1-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxylic acid
SMILESCc1cc(C)n(-c2ccc(CN3CCC[C@@H]3C(=O)O)cc2)n1
InChIInChI=1S/C17H21N3O2/c1-12-10-13(2)20(18-12)15-7-5-14(6-8-15)11-19-9-3-4-16(19)17(21)22/h5-8,10,16H,3-4,9,11H2,1-2H3,(H,21,22)/t16-/m1/s1
InChIKeyXGCRZEJBYBQNSG-MRXNPFEDSA-N
MW299.37 g/mol
LogP2.54
Rot. Bonds4

About (2R)-1-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxylic acid

(2R)-1-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxylic acid (PubChem CID 119913895) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2R)-1-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxylic acid
PubChem CID119913895
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(2R)-1-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxylic acid
SMILESCc1cc(C)n(-c2ccc(CN3CCC[C@@H]3C(=O)O)cc2)n1
InChIInChI=1S/C17H21N3O2/c1-12-10-13(2)20(18-12)15-7-5-14(6-8-15)11-19-9-3-4-16(19)17(21)22/h5-8,10,16H,3-4,9,11H2,1-2H3,(H,21,22)/t16-/m1/s1
InChIKeyXGCRZEJBYBQNSG-MRXNPFEDSA-N
XLogP2.54
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S,6R)-1-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2,6-dimethylpiperidine-3-carboxylic acid
CID 136583649
(2S)-1-[(3,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid
CID 51441049
[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 1-butanoylpyrrolidine-2-carboxylate
CID 60528704
1-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908993
(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 96661922
1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 65056433
1-[(3-chloro-5-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 122036514
(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxyethyl)piperidine-2-carboxamide
CID 97280925
(2S)-1-(cyclopropylmethyl)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide
CID 42377399
1-[(4-bromophenyl)methyl]piperidine-2-carboxylic acid
CID 4021400
(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 7048458
1-(pyridin-4-ylmethyl)azepane-2-carboxylic acid
CID 64562578

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxylic acid (CID 119913895) is (2R)-1-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxylic acid is Cc1cc(C)n(-c2ccc(CN3CCC[C@@H]3C(=O)O)cc2)n1.
What is the InChIKey of (2R)-1-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is XGCRZEJBYBQNSG-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-10-13(2)20(18-12)15-7-5-14(6-8-15)11-19-9-3-4-16(19)17(21)22/h5-8,10,16H,3-4,9,11H2,1-2H3,(H,21,22)/t16-/m1/s1.
What are the key properties of (2R)-1-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119913895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).