N,4-diphenyl-1H-pyrazole-5-carboxamide;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide

C38H38N8O2 — CID 69045893

IUPACN,4-diphenyl-1H-pyrazole-5-carboxamide;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide
SMILESCN1CCN(c2ccc(CNC(=O)c3[nH]ncc3-c3ccccc3)cc2)CC1.O=C(Nc1ccccc1)c1[nH]ncc1-c1ccccc1
InChIInChI=1S/C22H25N5O.C16H13N3O/c1-26-11-13-27(14-12-26)19-9-7-17(8-10-19)15-23-22(28)21-20(16-24-25-21)18-5-3-2-4-6-18;20-16(18-13-9-5-2-6-10-13)15-14(11-17-19-15)12-7-3-1-4-8-12/h2-10,16H,11-15H2,1H3,(H,23,28)(H,24,25);1-11H,(H,17,19)(H,18,20)
InChIKeyWNHCFZNARVXNHY-UHFFFAOYSA-N
MW638.78 g/mol
LogP6.09
Rot. Bonds8

About N,4-diphenyl-1H-pyrazole-5-carboxamide;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide

N,4-diphenyl-1H-pyrazole-5-carboxamide;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 69045893) has the molecular formula C38H38N8O2 and a molecular weight of 638.78 g/mol. Its IUPAC name is N,4-diphenyl-1H-pyrazole-5-carboxamide;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN,4-diphenyl-1H-pyrazole-5-carboxamide;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide
PubChem CID69045893
Molecular FormulaC38H38N8O2
Molecular Weight638.78 g/mol
Exact Mass638.31
IUPAC NameN,4-diphenyl-1H-pyrazole-5-carboxamide;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide
SMILESCN1CCN(c2ccc(CNC(=O)c3[nH]ncc3-c3ccccc3)cc2)CC1.O=C(Nc1ccccc1)c1[nH]ncc1-c1ccccc1
InChIInChI=1S/C22H25N5O.C16H13N3O/c1-26-11-13-27(14-12-26)19-9-7-17(8-10-19)15-23-22(28)21-20(16-24-25-21)18-5-3-2-4-6-18;20-16(18-13-9-5-2-6-10-13)15-14(11-17-19-15)12-7-3-1-4-8-12/h2-10,16H,11-15H2,1H3,(H,23,28)(H,24,25);1-11H,(H,17,19)(H,18,20)
InChIKeyWNHCFZNARVXNHY-UHFFFAOYSA-N
XLogP6.09
TPSA122.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.78
LogP ≤ 56.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[(2,6-difluorobenzoyl)amino]-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-5-carboxamide
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1-[(4-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108899107
2,6-dimethoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 94249254
N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-2-phenylacetamide
CID 110601100
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CID 155987750
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 110706378
5-(4-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 58833091
4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56685918
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylthiophene-2-carboxamide
CID 60514084
(2S)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(N-methylsulfonylanilino)propanamide
CID 97267616
ethane;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-1H-pyrazole-5-carboxamide;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N,4-diphenyl-1H-pyrazole-5-carboxamide;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide (CID 69045893) is N,4-diphenyl-1H-pyrazole-5-carboxamide;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N,4-diphenyl-1H-pyrazole-5-carboxamide;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N,4-diphenyl-1H-pyrazole-5-carboxamide;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide is CN1CCN(c2ccc(CNC(=O)c3[nH]ncc3-c3ccccc3)cc2)CC1.O=C(Nc1ccccc1)c1[nH]ncc1-c1ccccc1.
What is the InChIKey of N,4-diphenyl-1H-pyrazole-5-carboxamide;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is WNHCFZNARVXNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O.C16H13N3O/c1-26-11-13-27(14-12-26)19-9-7-17(8-10-19)15-23-22(28)21-20(16-24-25-21)18-5-3-2-4-6-18;20-16(18-13-9-5-2-6-10-13)15-14(11-17-19-15)12-7-3-1-4-8-12/h2-10,16H,11-15H2,1H3,(H,23,28)(H,24,25);1-11H,(H,17,19)(H,18,20).
What are the key properties of N,4-diphenyl-1H-pyrazole-5-carboxamide;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide?
N,4-diphenyl-1H-pyrazole-5-carboxamide;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 638.78 g/mol, XLogP of 6.09, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-1H-pyrazole-5-carboxamide;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 69045893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).