1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylpiperazine

C14H24N4 — CID 64833588

IUPAC1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylpiperazine
SMILESCC1CN(Cc2ccn(C3CCCC3)n2)CCN1
InChIInChI=1S/C14H24N4/c1-12-10-17(9-7-15-12)11-13-6-8-18(16-13)14-4-2-3-5-14/h6,8,12,14-15H,2-5,7,9-11H2,1H3
InChIKeyGJDKVVLKSGDSMC-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.79
Rot. Bonds3

About 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylpiperazine

1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylpiperazine (PubChem CID 64833588) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylpiperazine.

Molecular Properties

Compound Name1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylpiperazine
PubChem CID64833588
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylpiperazine
SMILESCC1CN(Cc2ccn(C3CCCC3)n2)CCN1
InChIInChI=1S/C14H24N4/c1-12-10-17(9-7-15-12)11-13-6-8-18(16-13)14-4-2-3-5-14/h6,8,12,14-15H,2-5,7,9-11H2,1H3
InChIKeyGJDKVVLKSGDSMC-UHFFFAOYSA-N
XLogP1.79
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperazine
CID 104975598
1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperidin-4-amine
CID 79868446
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698
3-[(1-cyclohexylpyrazol-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 115314453
1-[(1-cyclohexylpyrazol-3-yl)methyl]-N,3-dimethylpiperidin-4-amine
CID 114499152
3-chloro-1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine
CID 64779699
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
3-[[3-(chloromethyl)pyrrolidin-1-yl]methyl]-1-cyclohexylpyrazole
CID 64779907
9-[(1-cyclopentylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 64833663
1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methyl-1,4-diazepan-2-one
CID 64777103
1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol
CID 81002641
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64784230

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylpiperazine?
The IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylpiperazine (CID 64833588) is 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylpiperazine.
What is the SMILES notation for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylpiperazine?
The canonical SMILES for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylpiperazine is CC1CN(Cc2ccn(C3CCCC3)n2)CCN1.
What is the InChIKey of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylpiperazine?
The InChIKey is GJDKVVLKSGDSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-12-10-17(9-7-15-12)11-13-6-8-18(16-13)14-4-2-3-5-14/h6,8,12,14-15H,2-5,7,9-11H2,1H3.
What are the key properties of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylpiperazine?
1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylpiperazine has a molecular weight of 248.37 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylpiperazine is sourced from PubChem (CID 64833588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).