N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpyrazolidine-4-carboxamide

C15H18N4OS — CID 74653127

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpyrazolidine-4-carboxamide
SMILESCc1nc(NC(=O)C2CNNC2c2ccccc2)sc1C
InChIInChI=1S/C15H18N4OS/c1-9-10(2)21-15(17-9)18-14(20)12-8-16-19-13(12)11-6-4-3-5-7-11/h3-7,12-13,16,19H,8H2,1-2H3,(H,17,18,20)
InChIKeyQRTKLEHOALWZAL-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.16
Rot. Bonds3

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpyrazolidine-4-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpyrazolidine-4-carboxamide (PubChem CID 74653127) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpyrazolidine-4-carboxamide
PubChem CID74653127
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpyrazolidine-4-carboxamide
SMILESCc1nc(NC(=O)C2CNNC2c2ccccc2)sc1C
InChIInChI=1S/C15H18N4OS/c1-9-10(2)21-15(17-9)18-14(20)12-8-16-19-13(12)11-6-4-3-5-7-11/h3-7,12-13,16,19H,8H2,1-2H3,(H,17,18,20)
InChIKeyQRTKLEHOALWZAL-UHFFFAOYSA-N
XLogP2.16
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpyrazolidine-4-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpyrazolidine-4-carboxamide (CID 74653127) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpyrazolidine-4-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpyrazolidine-4-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpyrazolidine-4-carboxamide is Cc1nc(NC(=O)C2CNNC2c2ccccc2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpyrazolidine-4-carboxamide?
The InChIKey is QRTKLEHOALWZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-9-10(2)21-15(17-9)18-14(20)12-8-16-19-13(12)11-6-4-3-5-7-11/h3-7,12-13,16,19H,8H2,1-2H3,(H,17,18,20).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpyrazolidine-4-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpyrazolidine-4-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpyrazolidine-4-carboxamide is sourced from PubChem (CID 74653127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).