2-(4-chlorophenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide

C19H19ClN4OS — CID 112797447

IUPAC2-(4-chlorophenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1ccnn1C(C)C1CC1
InChIInChI=1S/C19H19ClN4OS/c1-11-17(26-19(22-11)14-5-7-15(20)8-6-14)18(25)23-16-9-10-21-24(16)12(2)13-3-4-13/h5-10,12-13H,3-4H2,1-2H3,(H,23,25)
InChIKeyICAACZRZKJBTGV-UHFFFAOYSA-N
MW386.91 g/mol
LogP5.19
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide

2-(4-chlorophenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 112797447) has the molecular formula C19H19ClN4OS and a molecular weight of 386.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID112797447
Molecular FormulaC19H19ClN4OS
Molecular Weight386.91 g/mol
Exact Mass386.10
IUPAC Name2-(4-chlorophenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1ccnn1C(C)C1CC1
InChIInChI=1S/C19H19ClN4OS/c1-11-17(26-19(22-11)14-5-7-15(20)8-6-14)18(25)23-16-9-10-21-24(16)12(2)13-3-4-13/h5-10,12-13H,3-4H2,1-2H3,(H,23,25)
InChIKeyICAACZRZKJBTGV-UHFFFAOYSA-N
XLogP5.19
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.91
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-4-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3-thiazole-5-carboxamide
CID 26956456
2,4-dimethyl-N-(2-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 78772783
2-(4-chlorophenoxy)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]acetamide
CID 29339507
2-(4-chlorophenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119452782
N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119477613
N-[(4-chlorophenyl)methyl]-2-[(1R)-1-cyclopropylethyl]pyrazol-3-amine
CID 97086094
4-methyl-N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 30183975
2-amino-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 62794761
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 46660400
N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-5-methylfuro[3,2-b]pyridine-2-carboxamide
CID 95340854
2-(4-chlorophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47839047
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(4-phenylphenyl)acetamide
CID 112761634

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 112797447) is 2-(4-chlorophenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1ccnn1C(C)C1CC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ICAACZRZKJBTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4OS/c1-11-17(26-19(22-11)14-5-7-15(20)8-6-14)18(25)23-16-9-10-21-24(16)12(2)13-3-4-13/h5-10,12-13H,3-4H2,1-2H3,(H,23,25).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
2-(4-chlorophenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 386.91 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 112797447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).