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

C20H14Cl3N5O — CID 19513614

IUPACN-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2Cl)c1)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1
InChIInChI=1S/C20H14Cl3N5O/c21-15-4-2-1-3-13(15)10-28-11-14(9-24-28)25-20(29)19-8-18(26-27-19)12-5-6-16(22)17(23)7-12/h1-9,11H,10H2,(H,25,29)(H,26,27)
InChIKeyKMYNEJDCMVXGBJ-UHFFFAOYSA-N
MW446.73 g/mol
LogP5.53
Rot. Bonds5

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

N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19513614) has the molecular formula C20H14Cl3N5O and a molecular weight of 446.73 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID19513614
Molecular FormulaC20H14Cl3N5O
Molecular Weight446.73 g/mol
Exact Mass445.03
IUPAC NameN-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2Cl)c1)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1
InChIInChI=1S/C20H14Cl3N5O/c21-15-4-2-1-3-13(15)10-28-11-14(9-24-28)25-20(29)19-8-18(26-27-19)12-5-6-16(22)17(23)7-12/h1-9,11H,10H2,(H,25,29)(H,26,27)
InChIKeyKMYNEJDCMVXGBJ-UHFFFAOYSA-N
XLogP5.53
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.73
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513661
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
3-(2,4-dichlorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19509948
N-(1-benzylpyrazol-4-yl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19397544
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513744
3-(2,4-dichlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19395675
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide
CID 19397814
4,5-dibromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19397696
3-(3,4-dichlorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19513630
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513087

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide (CID 19513614) is N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1cnn(Cc2ccccc2Cl)c1)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is KMYNEJDCMVXGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl3N5O/c21-15-4-2-1-3-13(15)10-28-11-14(9-24-28)25-20(29)19-8-18(26-27-19)12-5-6-16(22)17(23)7-12/h1-9,11H,10H2,(H,25,29)(H,26,27).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 446.73 g/mol, XLogP of 5.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19513614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).