N-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

C11H12ClN3OS — CID 63652849

IUPACN-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C11H12ClN3OS/c1-6-10(7(2)15-14-6)11(16)13-5-8-3-4-9(12)17-8/h3-4H,5H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyMWHFMJSUPCJREN-UHFFFAOYSA-N
MW269.76 g/mol
LogP2.67
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 63652849) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID63652849
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C11H12ClN3OS/c1-6-10(7(2)15-14-6)11(16)13-5-8-3-4-9(12)17-8/h3-4H,5H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyMWHFMJSUPCJREN-UHFFFAOYSA-N
XLogP2.67
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47208477
N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443932
3,5-dimethyl-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 54944517
N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 32826150
3,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide
CID 54903055
3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
CID 43582292
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43583060
3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 43582486
N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55873365
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 43546509
N-[(5-chlorothiophen-2-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103956442
5-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099051

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 63652849) is N-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is MWHFMJSUPCJREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c1-6-10(7(2)15-14-6)11(16)13-5-8-3-4-9(12)17-8/h3-4H,5H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 269.76 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63652849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).