4-[(3-methylphenyl)methyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide

C20H29N5O — CID 60569660

IUPAC4-[(3-methylphenyl)methyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide
SMILESCc1cccc(CN2CCN(C(=O)NCC(C)Cn3cccn3)CC2)c1
InChIInChI=1S/C20H29N5O/c1-17-5-3-6-19(13-17)16-23-9-11-24(12-10-23)20(26)21-14-18(2)15-25-8-4-7-22-25/h3-8,13,18H,9-12,14-16H2,1-2H3,(H,21,26)
InChIKeyFKLYPJDDNODUEI-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.36
Rot. Bonds6

About 4-[(3-methylphenyl)methyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide

4-[(3-methylphenyl)methyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide (PubChem CID 60569660) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 4-[(3-methylphenyl)methyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-methylphenyl)methyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide
PubChem CID60569660
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name4-[(3-methylphenyl)methyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide
SMILESCc1cccc(CN2CCN(C(=O)NCC(C)Cn3cccn3)CC2)c1
InChIInChI=1S/C20H29N5O/c1-17-5-3-6-19(13-17)16-23-9-11-24(12-10-23)20(26)21-14-18(2)15-25-8-4-7-22-25/h3-8,13,18H,9-12,14-16H2,1-2H3,(H,21,26)
InChIKeyFKLYPJDDNODUEI-UHFFFAOYSA-N
XLogP2.36
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 129379800
N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 129379799
4-(cyclopropanecarbonyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,4-diazepane-1-carboxamide
CID 86802773
(3R)-3-anilino-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide
CID 97228827
2-benzyl-N-(2-methyl-3-pyrazol-1-ylpropyl)morpholine-4-carboxamide
CID 75445416
(2S)-2-benzyl-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]morpholine-4-carboxamide
CID 97336903
N-[2-(4-chlorophenyl)ethyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106832
5,8-difluoro-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97005865
N-(cyclohex-3-en-1-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 60593302
4-[(3-methylphenyl)methyl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperazine-1-carboxamide
CID 9319675
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 828834
N-[[4-(methylcarbamoyl)phenyl]methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 134006341

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylphenyl)methyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(3-methylphenyl)methyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide (CID 60569660) is 4-[(3-methylphenyl)methyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(3-methylphenyl)methyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(3-methylphenyl)methyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide is Cc1cccc(CN2CCN(C(=O)NCC(C)Cn3cccn3)CC2)c1.
What is the InChIKey of 4-[(3-methylphenyl)methyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide?
The InChIKey is FKLYPJDDNODUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-17-5-3-6-19(13-17)16-23-9-11-24(12-10-23)20(26)21-14-18(2)15-25-8-4-7-22-25/h3-8,13,18H,9-12,14-16H2,1-2H3,(H,21,26).
What are the key properties of 4-[(3-methylphenyl)methyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide?
4-[(3-methylphenyl)methyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide has a molecular weight of 355.49 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylphenyl)methyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 60569660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).