N-[[4-cyano-1-(2-phenylethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide

C29H35N5O — CID 56670312

IUPACN-[[4-cyano-1-(2-phenylethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCC2(C#N)CCN(CCc3ccccc3)CC2)nn1-c1ccccc1
InChIInChI=1S/C29H35N5O/c1-23(2)19-26-20-27(32-34(26)25-11-7-4-8-12-25)28(35)31-22-29(21-30)14-17-33(18-15-29)16-13-24-9-5-3-6-10-24/h3-12,20,23H,13-19,22H2,1-2H3,(H,31,35)
InChIKeyMOBKDWMWOOVQRE-UHFFFAOYSA-N
MW469.63 g/mol
LogP4.65
Rot. Bonds9

About N-[[4-cyano-1-(2-phenylethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide

N-[[4-cyano-1-(2-phenylethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide (PubChem CID 56670312) has the molecular formula C29H35N5O and a molecular weight of 469.63 g/mol. Its IUPAC name is N-[[4-cyano-1-(2-phenylethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-cyano-1-(2-phenylethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide
PubChem CID56670312
Molecular FormulaC29H35N5O
Molecular Weight469.63 g/mol
Exact Mass469.28
IUPAC NameN-[[4-cyano-1-(2-phenylethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCC2(C#N)CCN(CCc3ccccc3)CC2)nn1-c1ccccc1
InChIInChI=1S/C29H35N5O/c1-23(2)19-26-20-27(32-34(26)25-11-7-4-8-12-25)28(35)31-22-29(21-30)14-17-33(18-15-29)16-13-24-9-5-3-6-10-24/h3-12,20,23H,13-19,22H2,1-2H3,(H,31,35)
InChIKeyMOBKDWMWOOVQRE-UHFFFAOYSA-N
XLogP4.65
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-cyano-1-(2-phenylethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide with MolForge

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Related Compounds

[4-(2-phenylethyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone
CID 51347159
N-[[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 165352141
4-(2-methylpropylamino)-1-(2-phenylethyl)piperidine-4-carbonitrile
CID 61006040
1-(2-methylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 82089543
2-[methyl-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]amino]-N-(2-phenylethyl)acetamide
CID 155815083
1-[[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544814
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647
4-cyano-N-methyl-4-(2-phenylethyl)piperidine-1-carboxamide
CID 123692177
1-(3,4-dimethylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 82093379
5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide
CID 142965517
4-(benzylamino)-1-(2-phenylethyl)piperidine-4-carboxamide
CID 113225254
N-[(1-hydroxycyclopentyl)methyl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
CID 111560347

Frequently Asked Questions

What is the IUPAC name of N-[[4-cyano-1-(2-phenylethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[[4-cyano-1-(2-phenylethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide (CID 56670312) is N-[[4-cyano-1-(2-phenylethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[4-cyano-1-(2-phenylethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[[4-cyano-1-(2-phenylethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide is CC(C)Cc1cc(C(=O)NCC2(C#N)CCN(CCc3ccccc3)CC2)nn1-c1ccccc1.
What is the InChIKey of N-[[4-cyano-1-(2-phenylethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is MOBKDWMWOOVQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O/c1-23(2)19-26-20-27(32-34(26)25-11-7-4-8-12-25)28(35)31-22-29(21-30)14-17-33(18-15-29)16-13-24-9-5-3-6-10-24/h3-12,20,23H,13-19,22H2,1-2H3,(H,31,35).
What are the key properties of N-[[4-cyano-1-(2-phenylethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide?
N-[[4-cyano-1-(2-phenylethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 469.63 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyano-1-(2-phenylethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 56670312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).