(5-cyclohexyl-1H-pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C21H28N4O2 — CID 54579948

IUPAC(5-cyclohexyl-1H-pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(C3CCCCC3)[nH]n2)CC1
InChIInChI=1S/C21H28N4O2/c1-27-20-10-6-5-9-19(20)24-11-13-25(14-12-24)21(26)18-15-17(22-23-18)16-7-3-2-4-8-16/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,22,23)
InChIKeyPMLBATLYVMNVGV-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.43
Rot. Bonds4

About (5-cyclohexyl-1H-pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

(5-cyclohexyl-1H-pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 54579948) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is (5-cyclohexyl-1H-pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclohexyl-1H-pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID54579948
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name(5-cyclohexyl-1H-pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(C3CCCCC3)[nH]n2)CC1
InChIInChI=1S/C21H28N4O2/c1-27-20-10-6-5-9-19(20)24-11-13-25(14-12-24)21(26)18-15-17(22-23-18)16-7-3-2-4-8-16/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,22,23)
InChIKeyPMLBATLYVMNVGV-UHFFFAOYSA-N
XLogP3.43
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-cyclohexyl-1H-pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-cyclohexyl-1H-pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 54579948) is (5-cyclohexyl-1H-pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-cyclohexyl-1H-pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-cyclohexyl-1H-pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2cc(C3CCCCC3)[nH]n2)CC1.
What is the InChIKey of (5-cyclohexyl-1H-pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is PMLBATLYVMNVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-27-20-10-6-5-9-19(20)24-11-13-25(14-12-24)21(26)18-15-17(22-23-18)16-7-3-2-4-8-16/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,22,23).
What are the key properties of (5-cyclohexyl-1H-pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
(5-cyclohexyl-1H-pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 368.48 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexyl-1H-pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 54579948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).