3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol

C11H20N2O — CID 64772656

IUPAC3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
SMILESCC(O)C(C)Cc1ccn(C(C)C)n1
InChIInChI=1S/C11H20N2O/c1-8(2)13-6-5-11(12-13)7-9(3)10(4)14/h5-6,8-10,14H,7H2,1-4H3
InChIKeyCIUSMQRKTPUHAG-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.02
Rot. Bonds4

About 3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol

3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol (PubChem CID 64772656) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol.

Molecular Properties

Compound Name3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
PubChem CID64772656
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
SMILESCC(O)C(C)Cc1ccn(C(C)C)n1
InChIInChI=1S/C11H20N2O/c1-8(2)13-6-5-11(12-13)7-9(3)10(4)14/h5-6,8-10,14H,7H2,1-4H3
InChIKeyCIUSMQRKTPUHAG-UHFFFAOYSA-N
XLogP2.02
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine
CID 81009886
2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol
CID 79449988
1-(1-propan-2-ylpyrazol-3-yl)hexane-2,3-diol
CID 103454908
1-propan-2-yloxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol
CID 105103444
1-(1-propan-2-ylpyrazol-3-yl)nonan-2-ol
CID 64770989
1-cyclohexyl-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64770987
1-(4-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol
CID 64772608
1-(2-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64770812
2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid
CID 64772542
1-[1-hydroxy-2-(1-propan-2-ylpyrazol-3-yl)ethyl]cycloheptan-1-ol
CID 103452043
N,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64773528
1-(4-bromothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64773157

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol?
The IUPAC name of 3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol (CID 64772656) is 3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol.
What is the SMILES notation for 3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol?
The canonical SMILES for 3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol is CC(O)C(C)Cc1ccn(C(C)C)n1.
What is the InChIKey of 3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol?
The InChIKey is CIUSMQRKTPUHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8(2)13-6-5-11(12-13)7-9(3)10(4)14/h5-6,8-10,14H,7H2,1-4H3.
What are the key properties of 3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol?
3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol has a molecular weight of 196.29 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 3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol is sourced from PubChem (CID 64772656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).