(3S)-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid

C19H17N3O3S — CID 124610532

IUPAC(3S)-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCN(C(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)C1
InChIInChI=1S/C19H17N3O3S/c23-18(21-9-8-13(12-21)19(24)25)15-11-16(17-7-4-10-26-17)22(20-15)14-5-2-1-3-6-14/h1-7,10-11,13H,8-9,12H2,(H,24,25)/t13-/m0/s1
InChIKeyQAHUNMQSPNXKAE-ZDUSSCGKSA-N
MW367.43 g/mol
LogP3.15
Rot. Bonds4

About (3S)-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid

(3S)-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 124610532) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is (3S)-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID124610532
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name(3S)-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCN(C(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)C1
InChIInChI=1S/C19H17N3O3S/c23-18(21-9-8-13(12-21)19(24)25)15-11-16(17-7-4-10-26-17)22(20-15)14-5-2-1-3-6-14/h1-7,10-11,13H,8-9,12H2,(H,24,25)/t13-/m0/s1
InChIKeyQAHUNMQSPNXKAE-ZDUSSCGKSA-N
XLogP3.15
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)methanone
CID 119519370
1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119355098
3-fluoro-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carbonitrile
CID 146076048
(3S)-1-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119174031
1-(2-thiophen-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 119354254
1-(2-phenyltriazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63006198
(3S)-1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 119113520
(3S)-1-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 126444333
(4-hydroxypiperidin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone
CID 9245712
1-[1-(3,4-dichlorophenyl)-5-methylpyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 120533881
1-(2-hydroxyphenyl)-5-thiophen-2-ylpyrazole-3-carboxylic acid
CID 82362023
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 124610532) is (3S)-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CCN(C(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)C1.
What is the InChIKey of (3S)-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is QAHUNMQSPNXKAE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17N3O3S/c23-18(21-9-8-13(12-21)19(24)25)15-11-16(17-7-4-10-26-17)22(20-15)14-5-2-1-3-6-14/h1-7,10-11,13H,8-9,12H2,(H,24,25)/t13-/m0/s1.
What are the key properties of (3S)-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid?
(3S)-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 367.43 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124610532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).