3,4,4-trimethyl-1-(1-propylpyrazol-4-yl)pentan-1-ol

C14H26N2O — CID 114981667

IUPAC3,4,4-trimethyl-1-(1-propylpyrazol-4-yl)pentan-1-ol
SMILESCCCn1cc(C(O)CC(C)C(C)(C)C)cn1
InChIInChI=1S/C14H26N2O/c1-6-7-16-10-12(9-15-16)13(17)8-11(2)14(3,4)5/h9-11,13,17H,6-8H2,1-5H3
InChIKeyJXIXNJOWXQOMNI-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.40
Rot. Bonds5

About 3,4,4-trimethyl-1-(1-propylpyrazol-4-yl)pentan-1-ol

3,4,4-trimethyl-1-(1-propylpyrazol-4-yl)pentan-1-ol (PubChem CID 114981667) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3,4,4-trimethyl-1-(1-propylpyrazol-4-yl)pentan-1-ol.

Molecular Properties

Compound Name3,4,4-trimethyl-1-(1-propylpyrazol-4-yl)pentan-1-ol
PubChem CID114981667
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3,4,4-trimethyl-1-(1-propylpyrazol-4-yl)pentan-1-ol
SMILESCCCn1cc(C(O)CC(C)C(C)(C)C)cn1
InChIInChI=1S/C14H26N2O/c1-6-7-16-10-12(9-15-16)13(17)8-11(2)14(3,4)5/h9-11,13,17H,6-8H2,1-5H3
InChIKeyJXIXNJOWXQOMNI-UHFFFAOYSA-N
XLogP3.40
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,4-trimethyl-1-(1-methylpyrazol-4-yl)pentan-1-ol
CID 114981879
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 114981636
2-(2-methylpropylsulfanyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 65135715
2-amino-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 103572279
3-cyclopropyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 106590646
2-methylsulfonyl-1-(1-propylpyrazol-4-yl)ethanol
CID 115601037
2-(4-ethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572594
4-butan-2-yl-1-propylpyrazole
CID 130194925
1-(1-propylpyrazol-4-yl)pent-4-yn-1-ol
CID 103572625
2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 63895086
[2,2-dimethyl-1-(1-propylpyrazol-4-yl)propyl]hydrazine
CID 105203000

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-1-(1-propylpyrazol-4-yl)pentan-1-ol?
The IUPAC name of 3,4,4-trimethyl-1-(1-propylpyrazol-4-yl)pentan-1-ol (CID 114981667) is 3,4,4-trimethyl-1-(1-propylpyrazol-4-yl)pentan-1-ol.
What is the SMILES notation for 3,4,4-trimethyl-1-(1-propylpyrazol-4-yl)pentan-1-ol?
The canonical SMILES for 3,4,4-trimethyl-1-(1-propylpyrazol-4-yl)pentan-1-ol is CCCn1cc(C(O)CC(C)C(C)(C)C)cn1.
What is the InChIKey of 3,4,4-trimethyl-1-(1-propylpyrazol-4-yl)pentan-1-ol?
The InChIKey is JXIXNJOWXQOMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-6-7-16-10-12(9-15-16)13(17)8-11(2)14(3,4)5/h9-11,13,17H,6-8H2,1-5H3.
What are the key properties of 3,4,4-trimethyl-1-(1-propylpyrazol-4-yl)pentan-1-ol?
3,4,4-trimethyl-1-(1-propylpyrazol-4-yl)pentan-1-ol has a molecular weight of 238.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-1-(1-propylpyrazol-4-yl)pentan-1-ol is sourced from PubChem (CID 114981667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).