1-(3-chlorophenyl)-5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrazole-4-carboxamide

C22H25ClN6O — CID 55912385

IUPAC1-(3-chlorophenyl)-5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C22H25ClN6O/c1-16-20(15-26-29(16)19-5-3-4-18(23)13-19)22(30)25-14-17-6-7-24-21(12-17)28-10-8-27(2)9-11-28/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,25,30)
InChIKeyUJCDEDQLPHIKKB-UHFFFAOYSA-N
MW424.94 g/mol
LogP2.91
Rot. Bonds5

About 1-(3-chlorophenyl)-5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrazole-4-carboxamide

1-(3-chlorophenyl)-5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrazole-4-carboxamide (PubChem CID 55912385) has the molecular formula C22H25ClN6O and a molecular weight of 424.94 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrazole-4-carboxamide
PubChem CID55912385
Molecular FormulaC22H25ClN6O
Molecular Weight424.94 g/mol
Exact Mass424.18
IUPAC Name1-(3-chlorophenyl)-5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C22H25ClN6O/c1-16-20(15-26-29(16)19-5-3-4-18(23)13-19)22(30)25-14-17-6-7-24-21(12-17)28-10-8-27(2)9-11-28/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,25,30)
InChIKeyUJCDEDQLPHIKKB-UHFFFAOYSA-N
XLogP2.91
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.94
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrazole-4-carboxamide (CID 55912385) is 1-(3-chlorophenyl)-5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrazole-4-carboxamide is Cc1c(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrazole-4-carboxamide?
The InChIKey is UJCDEDQLPHIKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O/c1-16-20(15-26-29(16)19-5-3-4-18(23)13-19)22(30)25-14-17-6-7-24-21(12-17)28-10-8-27(2)9-11-28/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,25,30).
What are the key properties of 1-(3-chlorophenyl)-5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrazole-4-carboxamide?
1-(3-chlorophenyl)-5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrazole-4-carboxamide has a molecular weight of 424.94 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55912385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).