N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide

C20H13Cl3FN5O — CID 19513661

IUPACN-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1
InChIInChI=1S/C20H13Cl3FN5O/c21-15-4-2-11(5-17(15)23)18-7-19(28-27-18)20(30)26-14-8-25-29(10-14)9-12-1-3-13(24)6-16(12)22/h1-8,10H,9H2,(H,26,30)(H,27,28)
InChIKeyDYOFQPHMALCTCL-UHFFFAOYSA-N
MW464.72 g/mol
LogP5.67
Rot. Bonds5

About N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide

N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19513661) has the molecular formula C20H13Cl3FN5O and a molecular weight of 464.72 g/mol. Its IUPAC name is N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID19513661
Molecular FormulaC20H13Cl3FN5O
Molecular Weight464.72 g/mol
Exact Mass463.02
IUPAC NameN-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1
InChIInChI=1S/C20H13Cl3FN5O/c21-15-4-2-11(5-17(15)23)18-7-19(28-27-18)20(30)26-14-8-25-29(10-14)9-12-1-3-13(24)6-16(12)22/h1-8,10H,9H2,(H,26,30)(H,27,28)
InChIKeyDYOFQPHMALCTCL-UHFFFAOYSA-N
XLogP5.67
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.72
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513614
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19510337
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-4-carboxamide
CID 19474621
4-bromo-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19511356
3-(4-chlorophenyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19509312
3-(1,3-benzodioxol-5-yl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19513484
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19336125
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-methoxyacetamide
CID 39853882
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-methylbenzamide
CID 19412652
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 19412651
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 4865164
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-methylbutanamide
CID 35592036

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide (CID 19513661) is N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1.
What is the InChIKey of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is DYOFQPHMALCTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl3FN5O/c21-15-4-2-11(5-17(15)23)18-7-19(28-27-18)20(30)26-14-8-25-29(10-14)9-12-1-3-13(24)6-16(12)22/h1-8,10H,9H2,(H,26,30)(H,27,28).
What are the key properties of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 464.72 g/mol, XLogP of 5.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19513661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).