4-(5-methylpyrazol-1-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide

C29H31N5O — CID 39172813

IUPAC4-(5-methylpyrazol-1-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCc1ccnn1-c1ccc(C(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C29H31N5O/c1-23-15-16-31-34(23)28-13-11-24(12-14-28)29(35)30-21-25-7-5-6-8-26(25)22-32-17-19-33(20-18-32)27-9-3-2-4-10-27/h2-16H,17-22H2,1H3,(H,30,35)
InChIKeyVLNUHWBJYXHXFP-UHFFFAOYSA-N
MW465.60 g/mol
LogP4.43
Rot. Bonds7

About 4-(5-methylpyrazol-1-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide

4-(5-methylpyrazol-1-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide (PubChem CID 39172813) has the molecular formula C29H31N5O and a molecular weight of 465.60 g/mol. Its IUPAC name is 4-(5-methylpyrazol-1-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(5-methylpyrazol-1-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
PubChem CID39172813
Molecular FormulaC29H31N5O
Molecular Weight465.60 g/mol
Exact Mass465.25
IUPAC Name4-(5-methylpyrazol-1-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCc1ccnn1-c1ccc(C(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C29H31N5O/c1-23-15-16-31-34(23)28-13-11-24(12-14-28)29(35)30-21-25-7-5-6-8-26(25)22-32-17-19-33(20-18-32)27-9-3-2-4-10-27/h2-16H,17-22H2,1H3,(H,30,35)
InChIKeyVLNUHWBJYXHXFP-UHFFFAOYSA-N
XLogP4.43
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-methylpyrazol-1-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 46602275
N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]pyridine-2-carboxamide
CID 39173441
4-(oxolan-2-ylmethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
CID 55661043
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-4-pyrazol-1-ylbenzamide
CID 9069207
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-phenylbenzamide
CID 31961123
3,5-dimethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide
CID 31787078
(2R)-2-amino-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]propanamide;trihydrochloride
CID 119902129
4-tert-butyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 9481155
N-[(4-fluorophenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 9270477
3-methoxy-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-4-prop-2-enoxybenzamide
CID 39172679
N-[(2-fluorophenyl)methyl]-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide
CID 46157742
2-methylsulfanyl-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 55691045

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylpyrazol-1-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide?
The IUPAC name of 4-(5-methylpyrazol-1-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide (CID 39172813) is 4-(5-methylpyrazol-1-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-(5-methylpyrazol-1-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 4-(5-methylpyrazol-1-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide is Cc1ccnn1-c1ccc(C(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(5-methylpyrazol-1-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide?
The InChIKey is VLNUHWBJYXHXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O/c1-23-15-16-31-34(23)28-13-11-24(12-14-28)29(35)30-21-25-7-5-6-8-26(25)22-32-17-19-33(20-18-32)27-9-3-2-4-10-27/h2-16H,17-22H2,1H3,(H,30,35).
What are the key properties of 4-(5-methylpyrazol-1-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide?
4-(5-methylpyrazol-1-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide has a molecular weight of 465.60 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylpyrazol-1-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 39172813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).