2-(pyrazol-1-ylmethyl)butan-1-ol

C8H14N2O — CID 142163209

IUPAC2-(pyrazol-1-ylmethyl)butan-1-ol
SMILESCCC(CO)Cn1cccn1
InChIInChI=1S/C8H14N2O/c1-2-8(7-11)6-10-5-3-4-9-10/h3-5,8,11H,2,6-7H2,1H3
InChIKeyNDZVXMHKHDVPHE-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.90
Rot. Bonds4

About 2-(pyrazol-1-ylmethyl)butan-1-ol

2-(pyrazol-1-ylmethyl)butan-1-ol (PubChem CID 142163209) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(pyrazol-1-ylmethyl)butan-1-ol.

Molecular Properties

Compound Name2-(pyrazol-1-ylmethyl)butan-1-ol
PubChem CID142163209
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-(pyrazol-1-ylmethyl)butan-1-ol
SMILESCCC(CO)Cn1cccn1
InChIInChI=1S/C8H14N2O/c1-2-8(7-11)6-10-5-3-4-9-10/h3-5,8,11H,2,6-7H2,1H3
InChIKeyNDZVXMHKHDVPHE-UHFFFAOYSA-N
XLogP0.90
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-pyrazol-1-ylbutan-2-ol
CID 142163216
(2R)-1-methoxy-3-pyrazol-1-ylpropan-2-ol
CID 131206814
3-methyl-1-pyrazol-1-ylbutane-2-thiol
CID 165469811
1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol
CID 61462811
N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880
(2S)-1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol
CID 124508863
1-[2-(imidazol-1-ylmethyl)-4-methylpentyl]pyrazole
CID 57138453
methyl (2R)-2-methyl-3-pyrazol-1-ylpropanoate
CID 42574632
1-ethylpyrazole;propane
CID 142296683
1-[2-(imidazol-1-ylmethyl)hexyl]pyrazole
CID 57057005
1-(2-methylpropylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60904302
ethyl 2-bromo-3-pyrazol-1-ylpropanoate
CID 134975467

Frequently Asked Questions

What is the IUPAC name of 2-(pyrazol-1-ylmethyl)butan-1-ol?
The IUPAC name of 2-(pyrazol-1-ylmethyl)butan-1-ol (CID 142163209) is 2-(pyrazol-1-ylmethyl)butan-1-ol.
What is the SMILES notation for 2-(pyrazol-1-ylmethyl)butan-1-ol?
The canonical SMILES for 2-(pyrazol-1-ylmethyl)butan-1-ol is CCC(CO)Cn1cccn1.
What is the InChIKey of 2-(pyrazol-1-ylmethyl)butan-1-ol?
The InChIKey is NDZVXMHKHDVPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-8(7-11)6-10-5-3-4-9-10/h3-5,8,11H,2,6-7H2,1H3.
What are the key properties of 2-(pyrazol-1-ylmethyl)butan-1-ol?
2-(pyrazol-1-ylmethyl)butan-1-ol has a molecular weight of 154.21 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrazol-1-ylmethyl)butan-1-ol is sourced from PubChem (CID 142163209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).