1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

C15H17ClN4O3S — CID 122091979

IUPAC1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C15H17ClN4O3S/c1-15(13(21)22)5-6-20(8-15)14(23)17-12-7-9(18-19(12)2)10-3-4-11(16)24-10/h3-4,7H,5-6,8H2,1-2H3,(H,17,23)(H,21,22)
InChIKeyPRQKGDPKTGHBRV-UHFFFAOYSA-N
MW368.85 g/mol
LogP3.13
Rot. Bonds3

About 1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 122091979) has the molecular formula C15H17ClN4O3S and a molecular weight of 368.85 g/mol. Its IUPAC name is 1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID122091979
Molecular FormulaC15H17ClN4O3S
Molecular Weight368.85 g/mol
Exact Mass368.07
IUPAC Name1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C15H17ClN4O3S/c1-15(13(21)22)5-6-20(8-15)14(23)17-12-7-9(18-19(12)2)10-3-4-11(16)24-10/h3-4,7H,5-6,8H2,1-2H3,(H,17,23)(H,21,22)
InChIKeyPRQKGDPKTGHBRV-UHFFFAOYSA-N
XLogP3.13
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122091976
1-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256568
1-[(2-bromo-4-chlorophenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 81281422
1-[(2-bromo-5-chlorophenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 81280174
3-(5-chlorothiophen-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 82293487
3-methyl-1-[(2,4,6-trichlorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63145650
1-[(2-chloro-5-fluorophenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 107530206
1-[(2-tert-butylpyrazol-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122090412
3-methyl-1-[(1-methylindol-6-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122091024
1-[(3-bromo-4-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122088443
1-[(3,5-dichloro-4-methoxyphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122078627
1-[[2-chloro-3-(difluoromethyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122089782

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 122091979) is 1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1CCC(C)(C(=O)O)C1.
What is the InChIKey of 1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is PRQKGDPKTGHBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3S/c1-15(13(21)22)5-6-20(8-15)14(23)17-12-7-9(18-19(12)2)10-3-4-11(16)24-10/h3-4,7H,5-6,8H2,1-2H3,(H,17,23)(H,21,22).
What are the key properties of 1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 368.85 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122091979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).