3-(3-chlorophenyl)-1-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide

C17H16ClN5O2S — CID 95859488

IUPAC3-(3-chlorophenyl)-1-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide
SMILESCn1nc(-c2cccc(Cl)c2)cc1C(=O)Nc1nnc([C@H]2CCCO2)s1
InChIInChI=1S/C17H16ClN5O2S/c1-23-13(9-12(22-23)10-4-2-5-11(18)8-10)15(24)19-17-21-20-16(26-17)14-6-3-7-25-14/h2,4-5,8-9,14H,3,6-7H2,1H3,(H,19,21,24)/t14-/m1/s1
InChIKeyDNPZQHTZLGSLFJ-CQSZACIVSA-N
MW389.87 g/mol
LogP3.70
Rot. Bonds4

About 3-(3-chlorophenyl)-1-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide

3-(3-chlorophenyl)-1-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide (PubChem CID 95859488) has the molecular formula C17H16ClN5O2S and a molecular weight of 389.87 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide
PubChem CID95859488
Molecular FormulaC17H16ClN5O2S
Molecular Weight389.87 g/mol
Exact Mass389.07
IUPAC Name3-(3-chlorophenyl)-1-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide
SMILESCn1nc(-c2cccc(Cl)c2)cc1C(=O)Nc1nnc([C@H]2CCCO2)s1
InChIInChI=1S/C17H16ClN5O2S/c1-23-13(9-12(22-23)10-4-2-5-11(18)8-10)15(24)19-17-21-20-16(26-17)14-6-3-7-25-14/h2,4-5,8-9,14H,3,6-7H2,1H3,(H,19,21,24)/t14-/m1/s1
InChIKeyDNPZQHTZLGSLFJ-CQSZACIVSA-N
XLogP3.70
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.87
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(3-chlorophenyl)-1-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-1-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide (CID 95859488) is 3-(3-chlorophenyl)-1-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-1-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-1-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide is Cn1nc(-c2cccc(Cl)c2)cc1C(=O)Nc1nnc([C@H]2CCCO2)s1.
What is the InChIKey of 3-(3-chlorophenyl)-1-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide?
The InChIKey is DNPZQHTZLGSLFJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H16ClN5O2S/c1-23-13(9-12(22-23)10-4-2-5-11(18)8-10)15(24)19-17-21-20-16(26-17)14-6-3-7-25-14/h2,4-5,8-9,14H,3,6-7H2,1H3,(H,19,21,24)/t14-/m1/s1.
What are the key properties of 3-(3-chlorophenyl)-1-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide?
3-(3-chlorophenyl)-1-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide has a molecular weight of 389.87 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 95859488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).