1-[2-(5-chloro-4-cyclopentyloxypyrazol-1-yl)ethyl]-4-methylpiperazine

C15H25ClN4O — CID 117233181

IUPAC1-[2-(5-chloro-4-cyclopentyloxypyrazol-1-yl)ethyl]-4-methylpiperazine
SMILESCN1CCN(CCn2ncc(OC3CCCC3)c2Cl)CC1
InChIInChI=1S/C15H25ClN4O/c1-18-6-8-19(9-7-18)10-11-20-15(16)14(12-17-20)21-13-4-2-3-5-13/h12-13H,2-11H2,1H3
InChIKeyMAJKCUIFIRBMNZ-UHFFFAOYSA-N
MW312.85 g/mol
LogP2.11
Rot. Bonds5

About 1-[2-(5-chloro-4-cyclopentyloxypyrazol-1-yl)ethyl]-4-methylpiperazine

1-[2-(5-chloro-4-cyclopentyloxypyrazol-1-yl)ethyl]-4-methylpiperazine (PubChem CID 117233181) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is 1-[2-(5-chloro-4-cyclopentyloxypyrazol-1-yl)ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-(5-chloro-4-cyclopentyloxypyrazol-1-yl)ethyl]-4-methylpiperazine
PubChem CID117233181
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC Name1-[2-(5-chloro-4-cyclopentyloxypyrazol-1-yl)ethyl]-4-methylpiperazine
SMILESCN1CCN(CCn2ncc(OC3CCCC3)c2Cl)CC1
InChIInChI=1S/C15H25ClN4O/c1-18-6-8-19(9-7-18)10-11-20-15(16)14(12-17-20)21-13-4-2-3-5-13/h12-13H,2-11H2,1H3
InChIKeyMAJKCUIFIRBMNZ-UHFFFAOYSA-N
XLogP2.11
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-cyclopentyloxy-1-(2-methoxyethyl)pyrazole
CID 117231738
2-(5-chloro-4-cyclohexyloxypyrazol-1-yl)-N,N-dimethylethanamine
CID 117233230
5-chloro-4-cyclohexyloxy-1-[(1-methylpyrrolidin-3-yl)methyl]pyrazole
CID 117231920
4-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol
CID 117232690
4-[2-(5-chloro-4-methoxypyrazol-1-yl)ethyl]morpholine
CID 117233214
2-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol
CID 117232626
5-chloro-4-cyclopentyloxy-1-(oxan-3-ylmethyl)pyrazole
CID 117232356
1-tert-butyl-5-chloro-4-cyclopentyloxypyrazole
CID 117232843
5-chloro-4-cyclohexyloxy-1-[(3-fluorophenyl)methyl]pyrazole
CID 117232551
4-cyclopentyloxy-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylic acid
CID 117232718
5-chloro-4-cyclohexyloxy-1-(2-methylphenyl)pyrazole
CID 117232974
5-bromo-4-cyclohexyloxy-1-(3-methoxypropyl)pyrazole
CID 117231707

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-4-cyclopentyloxypyrazol-1-yl)ethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-(5-chloro-4-cyclopentyloxypyrazol-1-yl)ethyl]-4-methylpiperazine (CID 117233181) is 1-[2-(5-chloro-4-cyclopentyloxypyrazol-1-yl)ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-(5-chloro-4-cyclopentyloxypyrazol-1-yl)ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-(5-chloro-4-cyclopentyloxypyrazol-1-yl)ethyl]-4-methylpiperazine is CN1CCN(CCn2ncc(OC3CCCC3)c2Cl)CC1.
What is the InChIKey of 1-[2-(5-chloro-4-cyclopentyloxypyrazol-1-yl)ethyl]-4-methylpiperazine?
The InChIKey is MAJKCUIFIRBMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O/c1-18-6-8-19(9-7-18)10-11-20-15(16)14(12-17-20)21-13-4-2-3-5-13/h12-13H,2-11H2,1H3.
What are the key properties of 1-[2-(5-chloro-4-cyclopentyloxypyrazol-1-yl)ethyl]-4-methylpiperazine?
1-[2-(5-chloro-4-cyclopentyloxypyrazol-1-yl)ethyl]-4-methylpiperazine has a molecular weight of 312.85 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-4-cyclopentyloxypyrazol-1-yl)ethyl]-4-methylpiperazine is sourced from PubChem (CID 117233181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).