1-(4-chlorophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide

C22H24ClN5O — CID 56518265

IUPAC1-(4-chlorophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCN1CCN(c2ccccc2CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C22H24ClN5O/c1-26-10-12-27(13-11-26)21-5-3-2-4-17(21)14-24-22(29)18-15-25-28(16-18)20-8-6-19(23)7-9-20/h2-9,15-16H,10-14H2,1H3,(H,24,29)
InChIKeyBANHYUJGPWBZJL-UHFFFAOYSA-N
MW409.92 g/mol
LogP3.21
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 56518265) has the molecular formula C22H24ClN5O and a molecular weight of 409.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID56518265
Molecular FormulaC22H24ClN5O
Molecular Weight409.92 g/mol
Exact Mass409.17
IUPAC Name1-(4-chlorophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCN1CCN(c2ccccc2CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C22H24ClN5O/c1-26-10-12-27(13-11-26)21-5-3-2-4-17(21)14-24-22(29)18-15-25-28(16-18)20-8-6-19(23)7-9-20/h2-9,15-16H,10-14H2,1H3,(H,24,29)
InChIKeyBANHYUJGPWBZJL-UHFFFAOYSA-N
XLogP3.21
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide
CID 47046691
4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 3610947
N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 134029541
1-(4-chlorophenyl)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]pyrazole-4-carboxamide
CID 47056562
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
CID 56517601
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-propan-2-ylsulfanylbenzamide
CID 56518359
N-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 55852638
5-bromo-2-chloro-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56518298
N-(naphthalen-1-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 78851836
diethyl-[[2-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]phenyl]methyl]azanium
CID 9074333
4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56685918
4-butoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56516937

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide (CID 56518265) is 1-(4-chlorophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide is CN1CCN(c2ccccc2CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is BANHYUJGPWBZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O/c1-26-10-12-27(13-11-26)21-5-3-2-4-17(21)14-24-22(29)18-15-25-28(16-18)20-8-6-19(23)7-9-20/h2-9,15-16H,10-14H2,1H3,(H,24,29).
What are the key properties of 1-(4-chlorophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 409.92 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 56518265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).