[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]cyclohexyl]methanol

C16H23N3O2 — CID 106359756

IUPAC[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]cyclohexyl]methanol
SMILESCc1ccc(-c2[nH]ncc2CNC2CCCCC2CO)o1
InChIInChI=1S/C16H23N3O2/c1-11-6-7-15(21-11)16-13(9-18-19-16)8-17-14-5-3-2-4-12(14)10-20/h6-7,9,12,14,17,20H,2-5,8,10H2,1H3,(H,18,19)
InChIKeyROTPHZMUTWGMOC-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.62
Rot. Bonds5

About [2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]cyclohexyl]methanol

[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]cyclohexyl]methanol (PubChem CID 106359756) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]cyclohexyl]methanol
PubChem CID106359756
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]cyclohexyl]methanol
SMILESCc1ccc(-c2[nH]ncc2CNC2CCCCC2CO)o1
InChIInChI=1S/C16H23N3O2/c1-11-6-7-15(21-11)16-13(9-18-19-16)8-17-14-5-3-2-4-12(14)10-20/h6-7,9,12,14,17,20H,2-5,8,10H2,1H3,(H,18,19)
InChIKeyROTPHZMUTWGMOC-UHFFFAOYSA-N
XLogP2.62
TPSA74.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]cyclohexyl]methanol?
The IUPAC name of [2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]cyclohexyl]methanol (CID 106359756) is [2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]cyclohexyl]methanol.
What is the SMILES notation for [2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]cyclohexyl]methanol?
The canonical SMILES for [2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]cyclohexyl]methanol is Cc1ccc(-c2[nH]ncc2CNC2CCCCC2CO)o1.
What is the InChIKey of [2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]cyclohexyl]methanol?
The InChIKey is ROTPHZMUTWGMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-6-7-15(21-11)16-13(9-18-19-16)8-17-14-5-3-2-4-12(14)10-20/h6-7,9,12,14,17,20H,2-5,8,10H2,1H3,(H,18,19).
What are the key properties of [2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]cyclohexyl]methanol?
[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]cyclohexyl]methanol has a molecular weight of 289.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]cyclohexyl]methanol is sourced from PubChem (CID 106359756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).