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

C14H26N2O — CID 170563081

IUPAC5-butan-2-yl-3-(2-methylpropyl)-1-propylpyrazol-4-ol
SMILESCCCn1nc(CC(C)C)c(O)c1C(C)CC
InChIInChI=1S/C14H26N2O/c1-6-8-16-13(11(5)7-2)14(17)12(15-16)9-10(3)4/h10-11,17H,6-9H2,1-5H3
InChIKeySJGGDMYNTXPRKZ-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.71
Rot. Bonds6

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

5-butan-2-yl-3-(2-methylpropyl)-1-propylpyrazol-4-ol (PubChem CID 170563081) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 5-butan-2-yl-3-(2-methylpropyl)-1-propylpyrazol-4-ol.

Molecular Properties

Compound Name5-butan-2-yl-3-(2-methylpropyl)-1-propylpyrazol-4-ol
PubChem CID170563081
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name5-butan-2-yl-3-(2-methylpropyl)-1-propylpyrazol-4-ol
SMILESCCCn1nc(CC(C)C)c(O)c1C(C)CC
InChIInChI=1S/C14H26N2O/c1-6-8-16-13(11(5)7-2)14(17)12(15-16)9-10(3)4/h10-11,17H,6-9H2,1-5H3
InChIKeySJGGDMYNTXPRKZ-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

5-butan-2-yl-3-butyl-1-methylpyrazol-4-ol
CID 166083008
3-butan-2-yl-1-(2-methylpropyl)-5-propylpyrazol-4-ol
CID 166083128
4-(2-methylpropyl)-1-propyl-5-(trichloromethyl)triazole
CID 69383302
5-ethyl-3-propan-2-yl-1-propylpyrazol-4-ol
CID 166083003
1-butyl-3,5-di(propan-2-yl)pyrazol-4-ol
CID 166083041
5-(2-methylpropyl)-1-propylpyrazole-3-carboxamide
CID 66958846
4-methyl-5-(2-methylpropyl)-1-propyltriazole
CID 69387017
3,5-di(butan-2-yl)-1,4-dimethylpyrazole;propane
CID 144532911
4-bromo-1-methyl-3-(2-methylpropyl)pyrazole-5-carbaldehyde
CID 83912887
1-methyl-3-(2-methylpropyl)-4-nitropyrazole-5-carboxylate
CID 7174454
5-hydroxy-4-(2-methylphenyl)-6-(2-methylpropyl)-2-(2-phenylethyl)pyridazin-3-one
CID 59400751
1-methyl-3-propan-2-yl-5-propylpyrazol-4-ol
CID 166083095

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-(2-methylpropyl)-1-propylpyrazol-4-ol?
The IUPAC name of 5-butan-2-yl-3-(2-methylpropyl)-1-propylpyrazol-4-ol (CID 170563081) is 5-butan-2-yl-3-(2-methylpropyl)-1-propylpyrazol-4-ol.
What is the SMILES notation for 5-butan-2-yl-3-(2-methylpropyl)-1-propylpyrazol-4-ol?
The canonical SMILES for 5-butan-2-yl-3-(2-methylpropyl)-1-propylpyrazol-4-ol is CCCn1nc(CC(C)C)c(O)c1C(C)CC.
What is the InChIKey of 5-butan-2-yl-3-(2-methylpropyl)-1-propylpyrazol-4-ol?
The InChIKey is SJGGDMYNTXPRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-6-8-16-13(11(5)7-2)14(17)12(15-16)9-10(3)4/h10-11,17H,6-9H2,1-5H3.
What are the key properties of 5-butan-2-yl-3-(2-methylpropyl)-1-propylpyrazol-4-ol?
5-butan-2-yl-3-(2-methylpropyl)-1-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 5-butan-2-yl-3-(2-methylpropyl)-1-propylpyrazol-4-ol is sourced from PubChem (CID 170563081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).