5-[4-(4-methylpiperazin-1-yl)phenyl]-N-phenylpyrazole-1-carboxamide

C21H23N5O — CID 4264966

IUPAC5-[4-(4-methylpiperazin-1-yl)phenyl]-N-phenylpyrazole-1-carboxamide
SMILESCN1CCN(c2ccc(-c3ccnn3C(=O)Nc3ccccc3)cc2)CC1
InChIInChI=1S/C21H23N5O/c1-24-13-15-25(16-14-24)19-9-7-17(8-10-19)20-11-12-22-26(20)21(27)23-18-5-3-2-4-6-18/h2-12H,13-16H2,1H3,(H,23,27)
InChIKeySRZYDFRYSQQTCO-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.38
Rot. Bonds3

About 5-[4-(4-methylpiperazin-1-yl)phenyl]-N-phenylpyrazole-1-carboxamide

5-[4-(4-methylpiperazin-1-yl)phenyl]-N-phenylpyrazole-1-carboxamide (PubChem CID 4264966) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-[4-(4-methylpiperazin-1-yl)phenyl]-N-phenylpyrazole-1-carboxamide.

Molecular Properties

Compound Name5-[4-(4-methylpiperazin-1-yl)phenyl]-N-phenylpyrazole-1-carboxamide
PubChem CID4264966
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name5-[4-(4-methylpiperazin-1-yl)phenyl]-N-phenylpyrazole-1-carboxamide
SMILESCN1CCN(c2ccc(-c3ccnn3C(=O)Nc3ccccc3)cc2)CC1
InChIInChI=1S/C21H23N5O/c1-24-13-15-25(16-14-24)19-9-7-17(8-10-19)20-11-12-22-26(20)21(27)23-18-5-3-2-4-6-18/h2-12H,13-16H2,1H3,(H,23,27)
InChIKeySRZYDFRYSQQTCO-UHFFFAOYSA-N
XLogP3.38
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylpiperazin-1-yl)phenyl]-N-phenylpyrazole-1-carboxamide?
The IUPAC name of 5-[4-(4-methylpiperazin-1-yl)phenyl]-N-phenylpyrazole-1-carboxamide (CID 4264966) is 5-[4-(4-methylpiperazin-1-yl)phenyl]-N-phenylpyrazole-1-carboxamide.
What is the SMILES notation for 5-[4-(4-methylpiperazin-1-yl)phenyl]-N-phenylpyrazole-1-carboxamide?
The canonical SMILES for 5-[4-(4-methylpiperazin-1-yl)phenyl]-N-phenylpyrazole-1-carboxamide is CN1CCN(c2ccc(-c3ccnn3C(=O)Nc3ccccc3)cc2)CC1.
What is the InChIKey of 5-[4-(4-methylpiperazin-1-yl)phenyl]-N-phenylpyrazole-1-carboxamide?
The InChIKey is SRZYDFRYSQQTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-24-13-15-25(16-14-24)19-9-7-17(8-10-19)20-11-12-22-26(20)21(27)23-18-5-3-2-4-6-18/h2-12H,13-16H2,1H3,(H,23,27).
What are the key properties of 5-[4-(4-methylpiperazin-1-yl)phenyl]-N-phenylpyrazole-1-carboxamide?
5-[4-(4-methylpiperazin-1-yl)phenyl]-N-phenylpyrazole-1-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylpiperazin-1-yl)phenyl]-N-phenylpyrazole-1-carboxamide is sourced from PubChem (CID 4264966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).