N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[3-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]acetamide

C19H24N6OS — CID 46992917

IUPACN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[3-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]acetamide
SMILESCc1cc(NC(=O)Cn2ccc(-c3scnc3C)n2)n(C2CCCCC2)n1
InChIInChI=1S/C19H24N6OS/c1-13-10-17(25(22-13)15-6-4-3-5-7-15)21-18(26)11-24-9-8-16(23-24)19-14(2)20-12-27-19/h8-10,12,15H,3-7,11H2,1-2H3,(H,21,26)
InChIKeyQCUCCQKKFSRRAI-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.96
Rot. Bonds5

About N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[3-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]acetamide

N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[3-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]acetamide (PubChem CID 46992917) has the molecular formula C19H24N6OS and a molecular weight of 384.51 g/mol. Its IUPAC name is N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[3-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[3-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]acetamide
PubChem CID46992917
Molecular FormulaC19H24N6OS
Molecular Weight384.51 g/mol
Exact Mass384.17
IUPAC NameN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[3-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]acetamide
SMILESCc1cc(NC(=O)Cn2ccc(-c3scnc3C)n2)n(C2CCCCC2)n1
InChIInChI=1S/C19H24N6OS/c1-13-10-17(25(22-13)15-6-4-3-5-7-15)21-18(26)11-24-9-8-16(23-24)19-14(2)20-12-27-19/h8-10,12,15H,3-7,11H2,1-2H3,(H,21,26)
InChIKeyQCUCCQKKFSRRAI-UHFFFAOYSA-N
XLogP3.96
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanamide
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(2S)-N-[1-methyl-3-[2-(methylamino)-4-pyridinyl]pyrazol-5-yl]-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanamide
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N-(3-fluorophenyl)-N'-{1-[1-(1,3-thiazol-4-ylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}urea
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2-[3-(4-methyl-1,3-thiazol-5-yl)-1H-pyrazol-1-yl]-N-(2-methyl-2H-1,2,3-triazol-4-yl)acetamide
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CID 46992733
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
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US10577360, Example 35
CID 138585148
N-(2-cyclopentylpyrazol-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
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N-[3-methyl-1-(propan-2-yl)-1H-pyrazol-5-yl]-1,3-benzothiazole-2-carboxamide
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N-[1-(1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazol-5-yl]-1-ethyl-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[3-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[3-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]acetamide (CID 46992917) is N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[3-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[3-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[3-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]acetamide is Cc1cc(NC(=O)Cn2ccc(-c3scnc3C)n2)n(C2CCCCC2)n1.
What is the InChIKey of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[3-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]acetamide?
The InChIKey is QCUCCQKKFSRRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6OS/c1-13-10-17(25(22-13)15-6-4-3-5-7-15)21-18(26)11-24-9-8-16(23-24)19-14(2)20-12-27-19/h8-10,12,15H,3-7,11H2,1-2H3,(H,21,26).
What are the key properties of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[3-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]acetamide?
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[3-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]acetamide has a molecular weight of 384.51 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[3-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 46992917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).