N-(1-benzylpyrazol-4-yl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide

C20H15Cl2N5O — CID 19397544

IUPACN-(1-benzylpyrazol-4-yl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C20H15Cl2N5O/c21-14-6-7-16(17(22)8-14)18-9-19(26-25-18)20(28)24-15-10-23-27(12-15)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,24,28)(H,25,26)
InChIKeyFVQJALKDPYBSOH-UHFFFAOYSA-N
MW412.28 g/mol
LogP4.88
Rot. Bonds5

About N-(1-benzylpyrazol-4-yl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide

N-(1-benzylpyrazol-4-yl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19397544) has the molecular formula C20H15Cl2N5O and a molecular weight of 412.28 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID19397544
Molecular FormulaC20H15Cl2N5O
Molecular Weight412.28 g/mol
Exact Mass411.07
IUPAC NameN-(1-benzylpyrazol-4-yl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C20H15Cl2N5O/c21-14-6-7-16(17(22)8-14)18-9-19(26-25-18)20(28)24-15-10-23-27(12-15)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,24,28)(H,25,26)
InChIKeyFVQJALKDPYBSOH-UHFFFAOYSA-N
XLogP4.88
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.28
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dichlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19395675
3-(2,4-dichlorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19509948
3-(4-chlorophenyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19509312
3-(2,4-dichlorophenyl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19510167
2,5-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 4125276
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513614
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19335893
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19510337
3-(2,4-dichlorophenyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
CID 19510109
N-(1-benzylpyrazol-4-yl)-5-nitro-1H-pyrazole-3-carboxamide
CID 135706854
3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide
CID 60552582
4,5-dibromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 19508572

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide (CID 19397544) is N-(1-benzylpyrazol-4-yl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1cnn(Cc2ccccc2)c1)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is FVQJALKDPYBSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N5O/c21-14-6-7-16(17(22)8-14)18-9-19(26-25-18)20(28)24-15-10-23-27(12-15)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,24,28)(H,25,26).
What are the key properties of N-(1-benzylpyrazol-4-yl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
N-(1-benzylpyrazol-4-yl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 412.28 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19397544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).