1-(cyclopentylmethyl)-4-[1-ethyl-3-[(4-methoxyphenyl)methyl]pyrazol-5-yl]piperidine

C24H35N3O — CID 142033319

IUPAC1-(cyclopentylmethyl)-4-[1-ethyl-3-[(4-methoxyphenyl)methyl]pyrazol-5-yl]piperidine
SMILESCCn1nc(Cc2ccc(OC)cc2)cc1C1CCN(CC2CCCC2)CC1
InChIInChI=1S/C24H35N3O/c1-3-27-24(17-22(25-27)16-19-8-10-23(28-2)11-9-19)21-12-14-26(15-13-21)18-20-6-4-5-7-20/h8-11,17,20-21H,3-7,12-16,18H2,1-2H3
InChIKeyPSAQDYWJJKBLED-UHFFFAOYSA-N
MW381.56 g/mol
LogP4.87
Rot. Bonds7

About 1-(cyclopentylmethyl)-4-[1-ethyl-3-[(4-methoxyphenyl)methyl]pyrazol-5-yl]piperidine

1-(cyclopentylmethyl)-4-[1-ethyl-3-[(4-methoxyphenyl)methyl]pyrazol-5-yl]piperidine (PubChem CID 142033319) has the molecular formula C24H35N3O and a molecular weight of 381.56 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-4-[1-ethyl-3-[(4-methoxyphenyl)methyl]pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-4-[1-ethyl-3-[(4-methoxyphenyl)methyl]pyrazol-5-yl]piperidine
PubChem CID142033319
Molecular FormulaC24H35N3O
Molecular Weight381.56 g/mol
Exact Mass381.28
IUPAC Name1-(cyclopentylmethyl)-4-[1-ethyl-3-[(4-methoxyphenyl)methyl]pyrazol-5-yl]piperidine
SMILESCCn1nc(Cc2ccc(OC)cc2)cc1C1CCN(CC2CCCC2)CC1
InChIInChI=1S/C24H35N3O/c1-3-27-24(17-22(25-27)16-19-8-10-23(28-2)11-9-19)21-12-14-26(15-13-21)18-20-6-4-5-7-20/h8-11,17,20-21H,3-7,12-16,18H2,1-2H3
InChIKeyPSAQDYWJJKBLED-UHFFFAOYSA-N
XLogP4.87
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.56
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-4-[1-ethyl-3-[(4-methoxyphenyl)methyl]pyrazol-5-yl]piperidine?
The IUPAC name of 1-(cyclopentylmethyl)-4-[1-ethyl-3-[(4-methoxyphenyl)methyl]pyrazol-5-yl]piperidine (CID 142033319) is 1-(cyclopentylmethyl)-4-[1-ethyl-3-[(4-methoxyphenyl)methyl]pyrazol-5-yl]piperidine.
What is the SMILES notation for 1-(cyclopentylmethyl)-4-[1-ethyl-3-[(4-methoxyphenyl)methyl]pyrazol-5-yl]piperidine?
The canonical SMILES for 1-(cyclopentylmethyl)-4-[1-ethyl-3-[(4-methoxyphenyl)methyl]pyrazol-5-yl]piperidine is CCn1nc(Cc2ccc(OC)cc2)cc1C1CCN(CC2CCCC2)CC1.
What is the InChIKey of 1-(cyclopentylmethyl)-4-[1-ethyl-3-[(4-methoxyphenyl)methyl]pyrazol-5-yl]piperidine?
The InChIKey is PSAQDYWJJKBLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O/c1-3-27-24(17-22(25-27)16-19-8-10-23(28-2)11-9-19)21-12-14-26(15-13-21)18-20-6-4-5-7-20/h8-11,17,20-21H,3-7,12-16,18H2,1-2H3.
What are the key properties of 1-(cyclopentylmethyl)-4-[1-ethyl-3-[(4-methoxyphenyl)methyl]pyrazol-5-yl]piperidine?
1-(cyclopentylmethyl)-4-[1-ethyl-3-[(4-methoxyphenyl)methyl]pyrazol-5-yl]piperidine has a molecular weight of 381.56 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-4-[1-ethyl-3-[(4-methoxyphenyl)methyl]pyrazol-5-yl]piperidine is sourced from PubChem (CID 142033319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).