1-(4-methylpentyl)pyrazol-4-ol

C9H16N2O — CID 116799439

IUPAC1-(4-methylpentyl)pyrazol-4-ol
SMILESCC(C)CCCn1cc(O)cn1
InChIInChI=1S/C9H16N2O/c1-8(2)4-3-5-11-7-9(12)6-10-11/h6-8,12H,3-5H2,1-2H3
InChIKeyVONMNLXJVYELCT-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.02
Rot. Bonds4

About 1-(4-methylpentyl)pyrazol-4-ol

1-(4-methylpentyl)pyrazol-4-ol (PubChem CID 116799439) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(4-methylpentyl)pyrazol-4-ol.

Molecular Properties

Compound Name1-(4-methylpentyl)pyrazol-4-ol
PubChem CID116799439
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(4-methylpentyl)pyrazol-4-ol
SMILESCC(C)CCCn1cc(O)cn1
InChIInChI=1S/C9H16N2O/c1-8(2)4-3-5-11-7-9(12)6-10-11/h6-8,12H,3-5H2,1-2H3
InChIKeyVONMNLXJVYELCT-UHFFFAOYSA-N
XLogP2.02
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoropropyl)pyrazol-4-ol
CID 116799422
1-(3-ethylsulfanylpropyl)pyrazol-4-ol
CID 116799350
1-(2-methoxyethyl)pyrazol-4-ol
CID 75466201
1-(aminomethyl)pyrazol-4-ol
CID 117125261
5-(4-methylsulfonylpyrazol-1-yl)pentan-2-ol
CID 165472463
(1S)-1-[1-(3-methylbutyl)pyrazol-4-yl]ethanamine
CID 94575316
(1R)-1-[1-(3-methylbutyl)pyrazol-4-yl]ethanamine
CID 94575315
N-[2-(4-bromopyrazol-1-yl)ethyl]-4-methylpentan-1-amine
CID 62566789
2-methyl-1-(5-methylhexan-2-yl)-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine
CID 111203428
4-chloro-3-iodo-1-(4-methylpentyl)pyrazole
CID 83163220
1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-ol
CID 116799456
1-but-2-ynylpyrazol-4-ol
CID 122240485

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)pyrazol-4-ol?
The IUPAC name of 1-(4-methylpentyl)pyrazol-4-ol (CID 116799439) is 1-(4-methylpentyl)pyrazol-4-ol.
What is the SMILES notation for 1-(4-methylpentyl)pyrazol-4-ol?
The canonical SMILES for 1-(4-methylpentyl)pyrazol-4-ol is CC(C)CCCn1cc(O)cn1.
What is the InChIKey of 1-(4-methylpentyl)pyrazol-4-ol?
The InChIKey is VONMNLXJVYELCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8(2)4-3-5-11-7-9(12)6-10-11/h6-8,12H,3-5H2,1-2H3.
What are the key properties of 1-(4-methylpentyl)pyrazol-4-ol?
1-(4-methylpentyl)pyrazol-4-ol has a molecular weight of 168.24 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)pyrazol-4-ol is sourced from PubChem (CID 116799439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).