6-(3-amino-4-methylpyrazol-1-yl)hexan-1-ol

C10H19N3O — CID 107703755

IUPAC6-(3-amino-4-methylpyrazol-1-yl)hexan-1-ol
SMILESCc1cn(CCCCCCO)nc1N
InChIInChI=1S/C10H19N3O/c1-9-8-13(12-10(9)11)6-4-2-3-5-7-14/h8,14H,2-7H2,1H3,(H2,11,12)
InChIKeyMDOKBZIDZIPWBQ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.33
Rot. Bonds6

About 6-(3-amino-4-methylpyrazol-1-yl)hexan-1-ol

6-(3-amino-4-methylpyrazol-1-yl)hexan-1-ol (PubChem CID 107703755) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 6-(3-amino-4-methylpyrazol-1-yl)hexan-1-ol.

Molecular Properties

Compound Name6-(3-amino-4-methylpyrazol-1-yl)hexan-1-ol
PubChem CID107703755
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name6-(3-amino-4-methylpyrazol-1-yl)hexan-1-ol
SMILESCc1cn(CCCCCCO)nc1N
InChIInChI=1S/C10H19N3O/c1-9-8-13(12-10(9)11)6-4-2-3-5-7-14/h8,14H,2-7H2,1H3,(H2,11,12)
InChIKeyMDOKBZIDZIPWBQ-UHFFFAOYSA-N
XLogP1.33
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3-amino-4-bromopyrazol-1-yl)hexan-1-ol
CID 107703736
1-(4,4-difluorobutyl)-4-methylpyrazol-3-amine
CID 165480778
6-(3-amino-1,2,4-triazol-1-yl)hexan-1-ol
CID 107703733
methyl 4-amino-1-(5-hydroxypentyl)pyrazole-3-carboxylate
CID 107344620
1-hexylpyrazole-3,4-diamine
CID 122672209
4-methyl-1-[3-(oxolan-2-yl)propyl]pyrazol-3-amine
CID 65161363
ethyl 4-amino-1-(3-hydroxypropyl)pyrazole-3-carboxylate
CID 107344882
4-methyl-1-prop-2-ynylpyrazol-3-amine
CID 166838104
1-[(1,4-dimethylpyrazol-3-yl)methyl]-4-methylpyrazol-3-amine
CID 165480403
5-[3-(aminomethyl)-1,2,4-triazol-1-yl]pentan-1-ol
CID 62950888
4-methyl-1-[2-(3-methylpyrrolidin-1-yl)ethyl]pyrazol-3-amine
CID 165482552
3-amino-1-hexylpyrazole-4-carbonitrile
CID 11469588

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-4-methylpyrazol-1-yl)hexan-1-ol?
The IUPAC name of 6-(3-amino-4-methylpyrazol-1-yl)hexan-1-ol (CID 107703755) is 6-(3-amino-4-methylpyrazol-1-yl)hexan-1-ol.
What is the SMILES notation for 6-(3-amino-4-methylpyrazol-1-yl)hexan-1-ol?
The canonical SMILES for 6-(3-amino-4-methylpyrazol-1-yl)hexan-1-ol is Cc1cn(CCCCCCO)nc1N.
What is the InChIKey of 6-(3-amino-4-methylpyrazol-1-yl)hexan-1-ol?
The InChIKey is MDOKBZIDZIPWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-9-8-13(12-10(9)11)6-4-2-3-5-7-14/h8,14H,2-7H2,1H3,(H2,11,12).
What are the key properties of 6-(3-amino-4-methylpyrazol-1-yl)hexan-1-ol?
6-(3-amino-4-methylpyrazol-1-yl)hexan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-4-methylpyrazol-1-yl)hexan-1-ol is sourced from PubChem (CID 107703755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).