5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-phenylpyrazole-3-carboxamide

C24H27N5O2 — CID 55780170

IUPAC5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)nn1-c1ccccc1
InChIInChI=1S/C24H27N5O2/c1-18-16-22(26-29(18)21-6-4-3-5-7-21)23(30)25-17-19-8-10-20(11-9-19)24(31)28-14-12-27(2)13-15-28/h3-11,16H,12-15,17H2,1-2H3,(H,25,30)
InChIKeyNHMRUFCCVPOFRZ-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.50
Rot. Bonds5

About 5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-phenylpyrazole-3-carboxamide

5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-phenylpyrazole-3-carboxamide (PubChem CID 55780170) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-phenylpyrazole-3-carboxamide
PubChem CID55780170
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)nn1-c1ccccc1
InChIInChI=1S/C24H27N5O2/c1-18-16-22(26-29(18)21-6-4-3-5-7-21)23(30)25-17-19-8-10-20(11-9-19)24(31)28-14-12-27(2)13-15-28/h3-11,16H,12-15,17H2,1-2H3,(H,25,30)
InChIKeyNHMRUFCCVPOFRZ-UHFFFAOYSA-N
XLogP2.50
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
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CID 109084853
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5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 55959743
5-methyl-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
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5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-phenylpyrazole-3-carboxamide (CID 55780170) is 5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)nn1-c1ccccc1.
What is the InChIKey of 5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is NHMRUFCCVPOFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-18-16-22(26-29(18)21-6-4-3-5-7-21)23(30)25-17-19-8-10-20(11-9-19)24(31)28-14-12-27(2)13-15-28/h3-11,16H,12-15,17H2,1-2H3,(H,25,30).
What are the key properties of 5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-phenylpyrazole-3-carboxamide?
5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 55780170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).