N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide

C19H19ClN4OS — CID 126800396

IUPACN-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide
SMILESCc1ccc(Cc2cnc(NC(=O)c3cn(C)nc3C3CC3)s2)cc1Cl
InChIInChI=1S/C19H19ClN4OS/c1-11-3-4-12(8-16(11)20)7-14-9-21-19(26-14)22-18(25)15-10-24(2)23-17(15)13-5-6-13/h3-4,8-10,13H,5-7H2,1-2H3,(H,21,22,25)
InChIKeyCSLWZGNQUKLVRI-UHFFFAOYSA-N
MW386.91 g/mol
LogP4.56
Rot. Bonds5

About N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide

N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide (PubChem CID 126800396) has the molecular formula C19H19ClN4OS and a molecular weight of 386.91 g/mol. Its IUPAC name is N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide
PubChem CID126800396
Molecular FormulaC19H19ClN4OS
Molecular Weight386.91 g/mol
Exact Mass386.10
IUPAC NameN-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide
SMILESCc1ccc(Cc2cnc(NC(=O)c3cn(C)nc3C3CC3)s2)cc1Cl
InChIInChI=1S/C19H19ClN4OS/c1-11-3-4-12(8-16(11)20)7-14-9-21-19(26-14)22-18(25)15-10-24(2)23-17(15)13-5-6-13/h3-4,8-10,13H,5-7H2,1-2H3,(H,21,22,25)
InChIKeyCSLWZGNQUKLVRI-UHFFFAOYSA-N
XLogP4.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
CID 18827803
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119278182
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide
CID 52559723
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 6488306
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 55537497
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-2-nitrobenzamide
CID 46535722
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
CID 46536911
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 17034914
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 30685113
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 46536689
1-(4-chlorobenzoyl)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 30685210
(2S)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 30685153

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide (CID 126800396) is N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide is Cc1ccc(Cc2cnc(NC(=O)c3cn(C)nc3C3CC3)s2)cc1Cl.
What is the InChIKey of N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide?
The InChIKey is CSLWZGNQUKLVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4OS/c1-11-3-4-12(8-16(11)20)7-14-9-21-19(26-14)22-18(25)15-10-24(2)23-17(15)13-5-6-13/h3-4,8-10,13H,5-7H2,1-2H3,(H,21,22,25).
What are the key properties of N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide?
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide has a molecular weight of 386.91 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 126800396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).