N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide

C17H15Cl2N3OS — CID 4277354

IUPACN-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide
SMILESCc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1cccs1
InChIInChI=1S/C17H15Cl2N3OS/c1-10-16(20-17(23)15-7-4-8-24-15)11(2)22(21-10)9-12-13(18)5-3-6-14(12)19/h3-8H,9H2,1-2H3,(H,20,23)
InChIKeyGZUXZOUDWLOATB-UHFFFAOYSA-N
MW380.30 g/mol
LogP5.17
Rot. Bonds4

About N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide

N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide (PubChem CID 4277354) has the molecular formula C17H15Cl2N3OS and a molecular weight of 380.30 g/mol. Its IUPAC name is N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide
PubChem CID4277354
Molecular FormulaC17H15Cl2N3OS
Molecular Weight380.30 g/mol
Exact Mass379.03
IUPAC NameN-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide
SMILESCc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1cccs1
InChIInChI=1S/C17H15Cl2N3OS/c1-10-16(20-17(23)15-7-4-8-24-15)11(2)22(21-10)9-12-13(18)5-3-6-14(12)19/h3-8H,9H2,1-2H3,(H,20,23)
InChIKeyGZUXZOUDWLOATB-UHFFFAOYSA-N
XLogP5.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.30
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-1-benzothiophene-2-carboxamide
CID 1226136
3-chloro-N-[3,5-di(tert-butyl)-1-methyl-1H-pyrazol-4-yl]-2-thiophenecarboxamide
CID 2811235
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 2970279
N-[(E)-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]thiophene-2-carboxamide
CID 6893134
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-thiophenecarboxamide
CID 1225355
3-chloro-N-[1-(2,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-1-benzothiophene-2-carboxamide
CID 994733
N-(2-chlorophenyl)-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide
CID 68062186
3-chloro-N-[1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-1-benzothiophene-2-carboxamide
CID 995289
N-tert-butyl-1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 2081443
2-(2,5-Dichloro-thiophene-3-sulfonylamino)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-benzamide
CID 2805555
[4-[(2-Chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-thiophen-2-ylmethanone
CID 2804842
N-(4-chloro-3-fluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide
CID 164613807

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide (CID 4277354) is N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide is Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1cccs1.
What is the InChIKey of N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide?
The InChIKey is GZUXZOUDWLOATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3OS/c1-10-16(20-17(23)15-7-4-8-24-15)11(2)22(21-10)9-12-13(18)5-3-6-14(12)19/h3-8H,9H2,1-2H3,(H,20,23).
What are the key properties of N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide?
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide has a molecular weight of 380.30 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 4277354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).