(3R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperazine

C15H26N4 — CID 104975598

IUPAC(3R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperazine
SMILESC[C@@H]1CN(Cc2ccn(C3CCCCC3)n2)CCN1
InChIInChI=1S/C15H26N4/c1-13-11-18(10-8-16-13)12-14-7-9-19(17-14)15-5-3-2-4-6-15/h7,9,13,15-16H,2-6,8,10-12H2,1H3/t13-/m1/s1
InChIKeyTXRYOMHMFCVIBW-CYBMUJFWSA-N
MW262.40 g/mol
LogP2.18
Rot. Bonds3

About (3R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperazine

(3R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperazine (PubChem CID 104975598) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is (3R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperazine
PubChem CID104975598
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name(3R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperazine
SMILESC[C@@H]1CN(Cc2ccn(C3CCCCC3)n2)CCN1
InChIInChI=1S/C15H26N4/c1-13-11-18(10-8-16-13)12-14-7-9-19(17-14)15-5-3-2-4-6-15/h7,9,13,15-16H,2-6,8,10-12H2,1H3/t13-/m1/s1
InChIKeyTXRYOMHMFCVIBW-CYBMUJFWSA-N
XLogP2.18
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylpiperazine
CID 64833588
1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperidin-4-amine
CID 79868446
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
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
3-chloro-1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine
CID 64779699
3-[[3-(chloromethyl)pyrrolidin-1-yl]methyl]-1-cyclohexylpyrazole
CID 64779907
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64784230
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 64776943
9-[(1-cyclopentylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 64833663
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 64783589

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperazine?
The IUPAC name of (3R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperazine (CID 104975598) is (3R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperazine.
What is the SMILES notation for (3R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperazine?
The canonical SMILES for (3R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperazine is C[C@@H]1CN(Cc2ccn(C3CCCCC3)n2)CCN1.
What is the InChIKey of (3R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperazine?
The InChIKey is TXRYOMHMFCVIBW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H26N4/c1-13-11-18(10-8-16-13)12-14-7-9-19(17-14)15-5-3-2-4-6-15/h7,9,13,15-16H,2-6,8,10-12H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperazine?
(3R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperazine has a molecular weight of 262.40 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperazine is sourced from PubChem (CID 104975598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).