1-(3-chlorophenyl)-5-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide

C18H18ClN3OS — CID 55688332

IUPAC1-(3-chlorophenyl)-5-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCc2ccsc2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C18H18ClN3OS/c1-12(2)17-16(18(23)20-9-13-6-7-24-11-13)10-21-22(17)15-5-3-4-14(19)8-15/h3-8,10-12H,9H2,1-2H3,(H,20,23)
InChIKeyQJQYRPDVWVLMPA-UHFFFAOYSA-N
MW359.88 g/mol
LogP4.64
Rot. Bonds5

About 1-(3-chlorophenyl)-5-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide

1-(3-chlorophenyl)-5-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide (PubChem CID 55688332) has the molecular formula C18H18ClN3OS and a molecular weight of 359.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide
PubChem CID55688332
Molecular FormulaC18H18ClN3OS
Molecular Weight359.88 g/mol
Exact Mass359.09
IUPAC Name1-(3-chlorophenyl)-5-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCc2ccsc2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C18H18ClN3OS/c1-12(2)17-16(18(23)20-9-13-6-7-24-11-13)10-21-22(17)15-5-3-4-14(19)8-15/h3-8,10-12H,9H2,1-2H3,(H,20,23)
InChIKeyQJQYRPDVWVLMPA-UHFFFAOYSA-N
XLogP4.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-acetamidophenyl)methyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 39575068
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55798341
1-(3-chlorophenyl)-5-propan-2-yl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 39695596
1-(3-chlorophenyl)-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 120832789
methyl 2-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]acetate
CID 52570392
1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
CID 30838865
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31862135
1-(3-chlorophenyl)-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119511365
N-[2-(benzenesulfonamido)ethyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 78851722
1-(3-chlorophenyl)-5-propan-2-yl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide
CID 78851760
1-(3-chlorophenyl)-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide
CID 43058699
1-(3-chlorophenyl)-5-propan-2-yl-N-pyridin-2-ylpyrazole-4-carboxamide
CID 30889196

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-5-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide (CID 55688332) is 1-(3-chlorophenyl)-5-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-5-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide is CC(C)c1c(C(=O)NCc2ccsc2)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is QJQYRPDVWVLMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3OS/c1-12(2)17-16(18(23)20-9-13-6-7-24-11-13)10-21-22(17)15-5-3-4-14(19)8-15/h3-8,10-12H,9H2,1-2H3,(H,20,23).
What are the key properties of 1-(3-chlorophenyl)-5-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide?
1-(3-chlorophenyl)-5-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 359.88 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55688332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).