azepan-2-yl-(2-propylpyrazol-3-yl)methanol

C13H23N3O — CID 114557083

IUPACazepan-2-yl-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)C1CCCCCN1
InChIInChI=1S/C13H23N3O/c1-2-10-16-12(7-9-15-16)13(17)11-6-4-3-5-8-14-11/h7,9,11,13-14,17H,2-6,8,10H2,1H3
InChIKeyNECDHJVNZOHMCZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.86
Rot. Bonds4

About azepan-2-yl-(2-propylpyrazol-3-yl)methanol

azepan-2-yl-(2-propylpyrazol-3-yl)methanol (PubChem CID 114557083) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is azepan-2-yl-(2-propylpyrazol-3-yl)methanol.

Molecular Properties

Compound Nameazepan-2-yl-(2-propylpyrazol-3-yl)methanol
PubChem CID114557083
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Nameazepan-2-yl-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)C1CCCCCN1
InChIInChI=1S/C13H23N3O/c1-2-10-16-12(7-9-15-16)13(17)11-6-4-3-5-8-14-11/h7,9,11,13-14,17H,2-6,8,10H2,1H3
InChIKeyNECDHJVNZOHMCZ-UHFFFAOYSA-N
XLogP1.86
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methyl-1H-pyrazol-5-yl)ethan-1-ol
CID 63961152
(1R)-1-(1-methyl-1H-pyrazol-5-yl)ethan-1-ol
CID 95258266
cyclohexyl(1-methyl-1H-pyrazol-3-yl)methanol
CID 65195367
(1-methyl-1H-pyrazol-5-yl)(piperidin-4-yl)methanol
CID 80560254
(1S)-1-(1-methyl-1H-pyrazol-5-yl)ethan-1-ol
CID 95258265
2-(1-methyl-1H-pyrazol-5-yl)oxan-4-amine
CID 114554562
rac-(2R,3R)-2-(1-(propan-2-yl)-1H-pyrazol-5-yl)oxolan-3-amine
CID 124709371
(1R,3S,5S)-3-(1-methyl-1H-pyrazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 126827699
2,2,2-trifluoro-1-[1-(propan-2-yl)-1H-pyrazol-5-yl]ethan-1-ol
CID 126973841
(2S,3S)-2-[1-(propan-2-yl)-1H-pyrazol-5-yl]oxolan-3-amine
CID 119031178
2-Amino-1-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol
CID 83884238
5,5-Difluoro-7-(2-methylpyrazol-3-yl)oxepan-3-amine
CID 141395810

Frequently Asked Questions

What is the IUPAC name of azepan-2-yl-(2-propylpyrazol-3-yl)methanol?
The IUPAC name of azepan-2-yl-(2-propylpyrazol-3-yl)methanol (CID 114557083) is azepan-2-yl-(2-propylpyrazol-3-yl)methanol.
What is the SMILES notation for azepan-2-yl-(2-propylpyrazol-3-yl)methanol?
The canonical SMILES for azepan-2-yl-(2-propylpyrazol-3-yl)methanol is CCCn1nccc1C(O)C1CCCCCN1.
What is the InChIKey of azepan-2-yl-(2-propylpyrazol-3-yl)methanol?
The InChIKey is NECDHJVNZOHMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-2-10-16-12(7-9-15-16)13(17)11-6-4-3-5-8-14-11/h7,9,11,13-14,17H,2-6,8,10H2,1H3.
What are the key properties of azepan-2-yl-(2-propylpyrazol-3-yl)methanol?
azepan-2-yl-(2-propylpyrazol-3-yl)methanol has a molecular weight of 237.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-yl-(2-propylpyrazol-3-yl)methanol is sourced from PubChem (CID 114557083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).