4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol

C9H16N2O — CID 118203099

IUPAC4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol
SMILESCC(C)CC(O)Cc1cn[nH]c1
InChIInChI=1S/C9H16N2O/c1-7(2)3-9(12)4-8-5-10-11-6-8/h5-7,9,12H,3-4H2,1-2H3,(H,10,11)
InChIKeyDGXBNUZHHOQPBU-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.36
Rot. Bonds4

About 4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol

4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol (PubChem CID 118203099) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol.

Molecular Properties

Compound Name4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol
PubChem CID118203099
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol
SMILESCC(C)CC(O)Cc1cn[nH]c1
InChIInChI=1S/C9H16N2O/c1-7(2)3-9(12)4-8-5-10-11-6-8/h5-7,9,12H,3-4H2,1-2H3,(H,10,11)
InChIKeyDGXBNUZHHOQPBU-UHFFFAOYSA-N
XLogP1.36
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol?
The IUPAC name of 4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol (CID 118203099) is 4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol.
What is the SMILES notation for 4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol?
The canonical SMILES for 4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol is CC(C)CC(O)Cc1cn[nH]c1.
What is the InChIKey of 4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol?
The InChIKey is DGXBNUZHHOQPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(2)3-9(12)4-8-5-10-11-6-8/h5-7,9,12H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol?
4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol has a molecular weight of 168.24 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol is sourced from PubChem (CID 118203099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).