N-(4-methylpiperazin-1-yl)-3-phenyl-1H-pyrazole-5-carboxamide

C15H19N5O — CID 8888927

IUPACN-(4-methylpiperazin-1-yl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCN1CCN(NC(=O)c2cc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C15H19N5O/c1-19-7-9-20(10-8-19)18-15(21)14-11-13(16-17-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,17)(H,18,21)
InChIKeyYTORZPNKFJCLTO-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.97
Rot. Bonds3

About N-(4-methylpiperazin-1-yl)-3-phenyl-1H-pyrazole-5-carboxamide

N-(4-methylpiperazin-1-yl)-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 8888927) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID8888927
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-(4-methylpiperazin-1-yl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCN1CCN(NC(=O)c2cc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C15H19N5O/c1-19-7-9-20(10-8-19)18-15(21)14-11-13(16-17-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,17)(H,18,21)
InChIKeyYTORZPNKFJCLTO-UHFFFAOYSA-N
XLogP0.97
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-methylpiperazin-1-yl)-3-phenyl-1H-pyrazole-5-carboxamide (CID 8888927) is N-(4-methylpiperazin-1-yl)-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-3-phenyl-1H-pyrazole-5-carboxamide is CN1CCN(NC(=O)c2cc(-c3ccccc3)n[nH]2)CC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is YTORZPNKFJCLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-19-7-9-20(10-8-19)18-15(21)14-11-13(16-17-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,17)(H,18,21).
What are the key properties of N-(4-methylpiperazin-1-yl)-3-phenyl-1H-pyrazole-5-carboxamide?
N-(4-methylpiperazin-1-yl)-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 8888927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).