1-(5-amino-1H-pyrazol-4-yl)-5-methylhexan-1-ol

C10H19N3O — CID 83161431

IUPAC1-(5-amino-1H-pyrazol-4-yl)-5-methylhexan-1-ol
SMILESCC(C)CCCC(O)c1cn[nH]c1N
InChIInChI=1S/C10H19N3O/c1-7(2)4-3-5-9(14)8-6-12-13-10(8)11/h6-7,9,14H,3-5H2,1-2H3,(H3,11,12,13)
InChIKeyCFFHXAODSWRTRY-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.85
Rot. Bonds5

About 1-(5-amino-1H-pyrazol-4-yl)-5-methylhexan-1-ol

1-(5-amino-1H-pyrazol-4-yl)-5-methylhexan-1-ol (PubChem CID 83161431) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(5-amino-1H-pyrazol-4-yl)-5-methylhexan-1-ol.

Molecular Properties

Compound Name1-(5-amino-1H-pyrazol-4-yl)-5-methylhexan-1-ol
PubChem CID83161431
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-(5-amino-1H-pyrazol-4-yl)-5-methylhexan-1-ol
SMILESCC(C)CCCC(O)c1cn[nH]c1N
InChIInChI=1S/C10H19N3O/c1-7(2)4-3-5-9(14)8-6-12-13-10(8)11/h6-7,9,14H,3-5H2,1-2H3,(H3,11,12,13)
InChIKeyCFFHXAODSWRTRY-UHFFFAOYSA-N
XLogP1.85
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-5-methylhexan-1-ol?
The IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-5-methylhexan-1-ol (CID 83161431) is 1-(5-amino-1H-pyrazol-4-yl)-5-methylhexan-1-ol.
What is the SMILES notation for 1-(5-amino-1H-pyrazol-4-yl)-5-methylhexan-1-ol?
The canonical SMILES for 1-(5-amino-1H-pyrazol-4-yl)-5-methylhexan-1-ol is CC(C)CCCC(O)c1cn[nH]c1N.
What is the InChIKey of 1-(5-amino-1H-pyrazol-4-yl)-5-methylhexan-1-ol?
The InChIKey is CFFHXAODSWRTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7(2)4-3-5-9(14)8-6-12-13-10(8)11/h6-7,9,14H,3-5H2,1-2H3,(H3,11,12,13).
What are the key properties of 1-(5-amino-1H-pyrazol-4-yl)-5-methylhexan-1-ol?
1-(5-amino-1H-pyrazol-4-yl)-5-methylhexan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1H-pyrazol-4-yl)-5-methylhexan-1-ol is sourced from PubChem (CID 83161431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).