N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide

C25H30N4O — CID 24790084

IUPACN-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
SMILESCCc1ccc(CN2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)cc1
InChIInChI=1S/C25H30N4O/c1-3-20-8-10-21(11-9-20)18-28-16-13-22(14-17-28)29-24(12-15-26-29)27-25(30)23-7-5-4-6-19(23)2/h4-12,15,22H,3,13-14,16-18H2,1-2H3,(H,27,30)
InChIKeyQUECPZHDUKZAFP-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.84
Rot. Bonds6

About N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide

N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide (PubChem CID 24790084) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
PubChem CID24790084
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC NameN-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
SMILESCCc1ccc(CN2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)cc1
InChIInChI=1S/C25H30N4O/c1-3-20-8-10-21(11-9-20)18-28-16-13-22(14-17-28)29-24(12-15-26-29)27-25(30)23-7-5-4-6-19(23)2/h4-12,15,22H,3,13-14,16-18H2,1-2H3,(H,27,30)
InChIKeyQUECPZHDUKZAFP-UHFFFAOYSA-N
XLogP4.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide?
The IUPAC name of N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide (CID 24790084) is N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide?
The canonical SMILES for N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide is CCc1ccc(CN2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)cc1.
What is the InChIKey of N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide?
The InChIKey is QUECPZHDUKZAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-3-20-8-10-21(11-9-20)18-28-16-13-22(14-17-28)29-24(12-15-26-29)27-25(30)23-7-5-4-6-19(23)2/h4-12,15,22H,3,13-14,16-18H2,1-2H3,(H,27,30).
What are the key properties of N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide?
N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide has a molecular weight of 402.54 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide is sourced from PubChem (CID 24790084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).