5-chloro-3-methyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide

C22H20ClN5O — CID 41413162

IUPAC5-chloro-3-methyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C22H20ClN5O/c1-16-20(21(23)28(26-16)19-6-3-2-4-7-19)22(29)24-14-12-17-8-10-18(11-9-17)27-15-5-13-25-27/h2-11,13,15H,12,14H2,1H3,(H,24,29)
InChIKeyDHIUJGGRWHGCMG-UHFFFAOYSA-N
MW405.89 g/mol
LogP3.99
Rot. Bonds6

About 5-chloro-3-methyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide

5-chloro-3-methyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide (PubChem CID 41413162) has the molecular formula C22H20ClN5O and a molecular weight of 405.89 g/mol. Its IUPAC name is 5-chloro-3-methyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-3-methyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
PubChem CID41413162
Molecular FormulaC22H20ClN5O
Molecular Weight405.89 g/mol
Exact Mass405.14
IUPAC Name5-chloro-3-methyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C22H20ClN5O/c1-16-20(21(23)28(26-16)19-6-3-2-4-7-19)22(29)24-14-12-17-8-10-18(11-9-17)27-15-5-13-25-27/h2-11,13,15H,12,14H2,1H3,(H,24,29)
InChIKeyDHIUJGGRWHGCMG-UHFFFAOYSA-N
XLogP3.99
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 46577228
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412823
2-(2-chlorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30525810
2,3-dimethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412698
3,6-dichloro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide
CID 41413238
5-chloro-3-methyl-1-phenyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide
CID 4780426
[2-oxo-2-(2-phenylethylamino)ethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8576370
5-chloro-3-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 155964290
methyl 4-[[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]benzoate
CID 46601601
1-(4-bromophenyl)-5-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 32708087
2-(2-methoxyethylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 119699721
4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081638

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-3-methyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide (CID 41413162) is 5-chloro-3-methyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-3-methyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-3-methyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 5-chloro-3-methyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide?
The InChIKey is DHIUJGGRWHGCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O/c1-16-20(21(23)28(26-16)19-6-3-2-4-7-19)22(29)24-14-12-17-8-10-18(11-9-17)27-15-5-13-25-27/h2-11,13,15H,12,14H2,1H3,(H,24,29).
What are the key properties of 5-chloro-3-methyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide?
5-chloro-3-methyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide has a molecular weight of 405.89 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 41413162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).