N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C18H13Cl2N5OS — CID 19509149

IUPACN-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1nn(Cc2ccccc2Cl)cc1Cl)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C18H13Cl2N5OS/c19-12-5-2-1-4-11(12)9-25-10-13(20)17(24-25)21-18(26)15-8-14(22-23-15)16-6-3-7-27-16/h1-8,10H,9H2,(H,22,23)(H,21,24,26)
InChIKeyKDEBQNBXSCDXGY-UHFFFAOYSA-N
MW418.31 g/mol
LogP4.94
Rot. Bonds5

About N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 19509149) has the molecular formula C18H13Cl2N5OS and a molecular weight of 418.31 g/mol. Its IUPAC name is N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID19509149
Molecular FormulaC18H13Cl2N5OS
Molecular Weight418.31 g/mol
Exact Mass417.02
IUPAC NameN-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1nn(Cc2ccccc2Cl)cc1Cl)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C18H13Cl2N5OS/c19-12-5-2-1-4-11(12)9-25-10-13(20)17(24-25)21-18(26)15-8-14(22-23-15)16-6-3-7-27-16/h1-8,10H,9H2,(H,22,23)(H,21,24,26)
InChIKeyKDEBQNBXSCDXGY-UHFFFAOYSA-N
XLogP4.94
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.31
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 19509180
N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 19509200
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide
CID 19287808
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,6-dimethoxybenzamide
CID 19344949
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509760
3-(1,3-benzodioxol-5-yl)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide
CID 19513337
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 19344959
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]butanamide
CID 19344988
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 19509183
N-(2-chloro-4-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55786539
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474329
2-[4-[[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504633

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 19509149) is N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is O=C(Nc1nn(Cc2ccccc2Cl)cc1Cl)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is KDEBQNBXSCDXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N5OS/c19-12-5-2-1-4-11(12)9-25-10-13(20)17(24-25)21-18(26)15-8-14(22-23-15)16-6-3-7-27-16/h1-8,10H,9H2,(H,22,23)(H,21,24,26).
What are the key properties of N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 418.31 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19509149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).