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

C23H19Cl2N5O — CID 55982898

IUPACN-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1
InChIInChI=1S/C23H19Cl2N5O/c24-17-8-9-21(20(25)10-17)30-22(16-6-7-16)19(12-27-30)23(31)28-18-11-26-29(14-18)13-15-4-2-1-3-5-15/h1-5,8-12,14,16H,6-7,13H2,(H,28,31)
InChIKeyAZNYMEJITKTYAT-UHFFFAOYSA-N
MW452.35 g/mol
LogP5.55
Rot. Bonds6

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

N-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide (PubChem CID 55982898) has the molecular formula C23H19Cl2N5O and a molecular weight of 452.35 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
PubChem CID55982898
Molecular FormulaC23H19Cl2N5O
Molecular Weight452.35 g/mol
Exact Mass451.10
IUPAC NameN-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1
InChIInChI=1S/C23H19Cl2N5O/c24-17-8-9-21(20(25)10-17)30-22(16-6-7-16)19(12-27-30)23(31)28-18-11-26-29(14-18)13-15-4-2-1-3-5-15/h1-5,8-12,14,16H,6-7,13H2,(H,28,31)
InChIKeyAZNYMEJITKTYAT-UHFFFAOYSA-N
XLogP5.55
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.35
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
CID 34337638
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide
CID 55604519
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide
CID 55606584
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 39518259
N-(1-benzylpyrazol-4-yl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19397544
ethyl N-[2-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate
CID 56558481
5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-4-carbohydrazide
CID 55616369
2,5-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 4125276
2,4-dichloro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346965
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 55795529
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]pyrazole-4-carboxamide
CID 55609258
N-(1-benzylpyrazol-4-yl)-5-bromo-2-iodobenzamide
CID 55983138

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide (CID 55982898) is N-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide is O=C(Nc1cnn(Cc2ccccc2)c1)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide?
The InChIKey is AZNYMEJITKTYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N5O/c24-17-8-9-21(20(25)10-17)30-22(16-6-7-16)19(12-27-30)23(31)28-18-11-26-29(14-18)13-15-4-2-1-3-5-15/h1-5,8-12,14,16H,6-7,13H2,(H,28,31).
What are the key properties of N-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide?
N-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide has a molecular weight of 452.35 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55982898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).