3-butan-2-yl-1-(2-methylpropyl)-5-propylpyrazol-4-ol

C14H26N2O — CID 166083128

IUPAC3-butan-2-yl-1-(2-methylpropyl)-5-propylpyrazol-4-ol
SMILESCCCc1c(O)c(C(C)CC)nn1CC(C)C
InChIInChI=1S/C14H26N2O/c1-6-8-12-14(17)13(11(5)7-2)15-16(12)9-10(3)4/h10-11,17H,6-9H2,1-5H3
InChIKeyCWYXKMCUSGRGNH-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.71
Rot. Bonds6

About 3-butan-2-yl-1-(2-methylpropyl)-5-propylpyrazol-4-ol

3-butan-2-yl-1-(2-methylpropyl)-5-propylpyrazol-4-ol (PubChem CID 166083128) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-butan-2-yl-1-(2-methylpropyl)-5-propylpyrazol-4-ol.

Molecular Properties

Compound Name3-butan-2-yl-1-(2-methylpropyl)-5-propylpyrazol-4-ol
PubChem CID166083128
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3-butan-2-yl-1-(2-methylpropyl)-5-propylpyrazol-4-ol
SMILESCCCc1c(O)c(C(C)CC)nn1CC(C)C
InChIInChI=1S/C14H26N2O/c1-6-8-12-14(17)13(11(5)7-2)15-16(12)9-10(3)4/h10-11,17H,6-9H2,1-5H3
InChIKeyCWYXKMCUSGRGNH-UHFFFAOYSA-N
XLogP3.71
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-propan-2-yl-5-propylpyrazol-4-ol
CID 166083036
1-methyl-3-propan-2-yl-5-propylpyrazol-4-ol
CID 166083095
5-ethyl-3-propan-2-yl-1-propylpyrazol-4-ol
CID 166083003
[1-(2-methylpropyl)-5-propyltriazol-4-yl]methanol
CID 82208557
5-butan-2-yl-3-butyl-1-methylpyrazol-4-ol
CID 166083008
1-(2-methylpropyl)-5-propylpyrazole-4-carboxylic acid
CID 43145815
5-butan-2-yl-3-(2-methylpropyl)-1-propylpyrazol-4-ol
CID 170563081
methyl 1-(2-methylpropyl)-5-propyltriazole-4-carboxylate
CID 103113719
1-butyl-3,5-di(propan-2-yl)pyrazol-4-ol
CID 166083041
3-tert-butyl-1-propan-2-yl-5-propylpyrazol-4-ol
CID 166082944
2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-ethylethanamine
CID 79224910
3,5-diethyl-1-(2-methylpropyl)pyrazol-4-amine
CID 82703146

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(2-methylpropyl)-5-propylpyrazol-4-ol?
The IUPAC name of 3-butan-2-yl-1-(2-methylpropyl)-5-propylpyrazol-4-ol (CID 166083128) is 3-butan-2-yl-1-(2-methylpropyl)-5-propylpyrazol-4-ol.
What is the SMILES notation for 3-butan-2-yl-1-(2-methylpropyl)-5-propylpyrazol-4-ol?
The canonical SMILES for 3-butan-2-yl-1-(2-methylpropyl)-5-propylpyrazol-4-ol is CCCc1c(O)c(C(C)CC)nn1CC(C)C.
What is the InChIKey of 3-butan-2-yl-1-(2-methylpropyl)-5-propylpyrazol-4-ol?
The InChIKey is CWYXKMCUSGRGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-6-8-12-14(17)13(11(5)7-2)15-16(12)9-10(3)4/h10-11,17H,6-9H2,1-5H3.
What are the key properties of 3-butan-2-yl-1-(2-methylpropyl)-5-propylpyrazol-4-ol?
3-butan-2-yl-1-(2-methylpropyl)-5-propylpyrazol-4-ol has a molecular weight of 238.37 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(2-methylpropyl)-5-propylpyrazol-4-ol is sourced from PubChem (CID 166083128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).