(4-cyclohexylpiperazin-1-yl)-(5-cyclopropyl-1H-pyrazol-3-yl)methanone

C17H26N4O — CID 20906519

IUPAC(4-cyclohexylpiperazin-1-yl)-(5-cyclopropyl-1H-pyrazol-3-yl)methanone
SMILESO=C(c1cc(C2CC2)[nH]n1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C17H26N4O/c22-17(16-12-15(18-19-16)13-6-7-13)21-10-8-20(9-11-21)14-4-2-1-3-5-14/h12-14H,1-11H2,(H,18,19)
InChIKeyXLPSUABUWIHRQF-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.38
Rot. Bonds3

About (4-cyclohexylpiperazin-1-yl)-(5-cyclopropyl-1H-pyrazol-3-yl)methanone

(4-cyclohexylpiperazin-1-yl)-(5-cyclopropyl-1H-pyrazol-3-yl)methanone (PubChem CID 20906519) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-(5-cyclopropyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-(5-cyclopropyl-1H-pyrazol-3-yl)methanone
PubChem CID20906519
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name(4-cyclohexylpiperazin-1-yl)-(5-cyclopropyl-1H-pyrazol-3-yl)methanone
SMILESO=C(c1cc(C2CC2)[nH]n1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C17H26N4O/c22-17(16-12-15(18-19-16)13-6-7-13)21-10-8-20(9-11-21)14-4-2-1-3-5-14/h12-14H,1-11H2,(H,18,19)
InChIKeyXLPSUABUWIHRQF-UHFFFAOYSA-N
XLogP2.38
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-(5-cyclopropyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-(5-cyclopropyl-1H-pyrazol-3-yl)methanone (CID 20906519) is (4-cyclohexylpiperazin-1-yl)-(5-cyclopropyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-(5-cyclopropyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-(5-cyclopropyl-1H-pyrazol-3-yl)methanone is O=C(c1cc(C2CC2)[nH]n1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-(5-cyclopropyl-1H-pyrazol-3-yl)methanone?
The InChIKey is XLPSUABUWIHRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c22-17(16-12-15(18-19-16)13-6-7-13)21-10-8-20(9-11-21)14-4-2-1-3-5-14/h12-14H,1-11H2,(H,18,19).
What are the key properties of (4-cyclohexylpiperazin-1-yl)-(5-cyclopropyl-1H-pyrazol-3-yl)methanone?
(4-cyclohexylpiperazin-1-yl)-(5-cyclopropyl-1H-pyrazol-3-yl)methanone has a molecular weight of 302.42 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-(5-cyclopropyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 20906519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).