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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Related Compounds

bis(3-phenyl-1H-pyrazol-5-yl)methanone
CID 174669259
N-[(2-methylpropan-2-yl)oxy]-3-phenyl-1H-pyrazole-5-carboxamide
CID 82723163
methyl 3-phenyl-1H-pyrazole-5-carboxylate
CID 644585
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 57383897
N-(4-acetamidophenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 26273244
[(3R,4R)-3-(hydroxymethyl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 72862196
(2S,3R)-3-hydroxy-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]butanoic acid
CID 104964742
3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 2677236
2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 118877078
N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43392945
N-[(2S)-1-morpholin-4-ylpropan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 94116708
(3-phenyl-1H-pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119403052

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).