1-benzyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide

C24H28N4O — CID 86997426

IUPAC1-benzyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
SMILESCc1ccccc1CN1CCC(NC(=O)c2cnn(Cc3ccccc3)c2)CC1
InChIInChI=1S/C24H28N4O/c1-19-7-5-6-10-21(19)17-27-13-11-23(12-14-27)26-24(29)22-15-25-28(18-22)16-20-8-3-2-4-9-20/h2-10,15,18,23H,11-14,16-17H2,1H3,(H,26,29)
InChIKeyHPNWIYZIQZFOJP-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.63
Rot. Bonds6

About 1-benzyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide

1-benzyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide (PubChem CID 86997426) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 1-benzyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
PubChem CID86997426
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name1-benzyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
SMILESCc1ccccc1CN1CCC(NC(=O)c2cnn(Cc3ccccc3)c2)CC1
InChIInChI=1S/C24H28N4O/c1-19-7-5-6-10-21(19)17-27-13-11-23(12-14-27)26-24(29)22-15-25-28(18-22)16-20-8-3-2-4-9-20/h2-10,15,18,23H,11-14,16-17H2,1H3,(H,26,29)
InChIKeyHPNWIYZIQZFOJP-UHFFFAOYSA-N
XLogP3.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-cyclohexylpyrazole-4-carboxamide
CID 40710526
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
3-[(1-benzylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 75498105
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]furan-3-carboxamide
CID 136577828
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide
CID 16613492
N-[1-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperidin-4-yl]-2-methylbenzamide
CID 39511123
1-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]pyrazole-4-carboxamide
CID 27710840
1-[(2-chlorophenyl)methyl]-N-cyclopentylpyrazole-4-carboxamide
CID 25392689
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-nitrobenzamide
CID 55753843
1-[(2-chlorophenyl)methyl]-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide
CID 75361341
(4-benzylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanone
CID 45019515
2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide
CID 110451979

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide (CID 86997426) is 1-benzyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide is Cc1ccccc1CN1CCC(NC(=O)c2cnn(Cc3ccccc3)c2)CC1.
What is the InChIKey of 1-benzyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is HPNWIYZIQZFOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-19-7-5-6-10-21(19)17-27-13-11-23(12-14-27)26-24(29)22-15-25-28(18-22)16-20-8-3-2-4-9-20/h2-10,15,18,23H,11-14,16-17H2,1H3,(H,26,29).
What are the key properties of 1-benzyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide?
1-benzyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 86997426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).