(2R)-1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid

C19H24N4O3 — CID 119914202

IUPAC(2R)-1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCC[C@@H]1C(=O)O
InChIInChI=1S/C19H24N4O3/c1-13-18(14(2)23(21-13)15-7-4-3-5-8-15)20-17(24)10-12-22-11-6-9-16(22)19(25)26/h3-5,7-8,16H,6,9-12H2,1-2H3,(H,20,24)(H,25,26)/t16-/m1/s1
InChIKeyPZYMUKFHRGMNOT-MRXNPFEDSA-N
MW356.43 g/mol
LogP2.37
Rot. Bonds6

About (2R)-1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid

(2R)-1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid (PubChem CID 119914202) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (2R)-1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid
PubChem CID119914202
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(2R)-1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCC[C@@H]1C(=O)O
InChIInChI=1S/C19H24N4O3/c1-13-18(14(2)23(21-13)15-7-4-3-5-8-15)20-17(24)10-12-22-11-6-9-16(22)19(25)26/h3-5,7-8,16H,6,9-12H2,1-2H3,(H,20,24)(H,25,26)/t16-/m1/s1
InChIKeyPZYMUKFHRGMNOT-MRXNPFEDSA-N
XLogP2.37
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 55566069
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CID 17427218
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CID 119697911
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N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[2-hydroxyethyl(methyl)amino]propanamide
CID 110935836
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(2-piperidin-1-ylanilino)acetamide
CID 24511149
(2R)-1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119370730
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid (CID 119914202) is (2R)-1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid is Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid?
The InChIKey is PZYMUKFHRGMNOT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13-18(14(2)23(21-13)15-7-4-3-5-8-15)20-17(24)10-12-22-11-6-9-16(22)19(25)26/h3-5,7-8,16H,6,9-12H2,1-2H3,(H,20,24)(H,25,26)/t16-/m1/s1.
What are the key properties of (2R)-1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid has a molecular weight of 356.43 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119914202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).