3-(3,4-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide

C15H12Cl2N4OS — CID 19513753

IUPAC3-(3,4-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)n[nH]2)sc1C
InChIInChI=1S/C15H12Cl2N4OS/c1-7-8(2)23-15(18-7)19-14(22)13-6-12(20-21-13)9-3-4-10(16)11(17)5-9/h3-6H,1-2H3,(H,20,21)(H,18,19,22)
InChIKeyCIWDMRXQZUKGIO-UHFFFAOYSA-N
MW367.26 g/mol
LogP4.71
Rot. Bonds3

About 3-(3,4-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide

3-(3,4-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 19513753) has the molecular formula C15H12Cl2N4OS and a molecular weight of 367.26 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID19513753
Molecular FormulaC15H12Cl2N4OS
Molecular Weight367.26 g/mol
Exact Mass366.01
IUPAC Name3-(3,4-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)n[nH]2)sc1C
InChIInChI=1S/C15H12Cl2N4OS/c1-7-8(2)23-15(18-7)19-14(22)13-6-12(20-21-13)9-3-4-10(16)11(17)5-9/h3-6H,1-2H3,(H,20,21)(H,18,19,22)
InChIKeyCIWDMRXQZUKGIO-UHFFFAOYSA-N
XLogP4.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.26
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513521
2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide
CID 107024982
4-bromo-N-[4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 2276030
3-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19513551
N-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030505
4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 81226435
6-amino-5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 62185172
3-(3,4-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enamide
CID 896647
3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 45030405
tert-butyl 3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxylate
CID 86614809
3-(3,4-dichlorophenyl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19513637
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(methylamino)benzamide
CID 55046054

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide (CID 19513753) is 3-(3,4-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide is Cc1nc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)n[nH]2)sc1C.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is CIWDMRXQZUKGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4OS/c1-7-8(2)23-15(18-7)19-14(22)13-6-12(20-21-13)9-3-4-10(16)11(17)5-9/h3-6H,1-2H3,(H,20,21)(H,18,19,22).
What are the key properties of 3-(3,4-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide?
3-(3,4-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 367.26 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19513753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).