1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol

C14H26N2O2 — CID 103449476

IUPAC1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol
SMILESCCc1cc(CC(O)C(O)(CC)CC)n(CC)n1
InChIInChI=1S/C14H26N2O2/c1-5-11-9-12(16(8-4)15-11)10-13(17)14(18,6-2)7-3/h9,13,17-18H,5-8,10H2,1-4H3
InChIKeyFUGWYGTZONSVDL-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.92
Rot. Bonds7

About 1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol

1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol (PubChem CID 103449476) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol
PubChem CID103449476
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol
SMILESCCc1cc(CC(O)C(O)(CC)CC)n(CC)n1
InChIInChI=1S/C14H26N2O2/c1-5-11-9-12(16(8-4)15-11)10-13(17)14(18,6-2)7-3/h9,13,17-18H,5-8,10H2,1-4H3
InChIKeyFUGWYGTZONSVDL-UHFFFAOYSA-N
XLogP1.92
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-3-(1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-ol
CID 112575301
1-(1,3-diethylpyrazol-5-yl)decan-2-ol
CID 115815685
N-tert-butyl-2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylbutan-1-amine
CID 83141508
4-(1,3-diethylpyrazol-5-yl)-2,3-dimethylbutan-1-amine
CID 81013547
1-cyclobutyl-3-(1,3-diethylpyrazol-5-yl)propan-2-ol
CID 103170098
tert-butyl 2-amino-3-(1,3-diethylpyrazol-5-yl)propanoate
CID 83226023
4-[2-(1,3-diethylpyrazol-5-yl)-1-hydroxyethyl]benzonitrile
CID 115480834
1-(3-aminophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol
CID 106695853
1-(2,4-dibromophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol
CID 107947608
1-(1,3-diethylpyrazol-5-yl)-2-N,3-N,3-N,3-tetramethylpentane-2,3-diamine
CID 79064585
2-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpropane-1,3-diol
CID 79450356
5-[2,2-bis(bromomethyl)butyl]-1,3-diethylpyrazole
CID 79455390

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol (CID 103449476) is 1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol is CCc1cc(CC(O)C(O)(CC)CC)n(CC)n1.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol?
The InChIKey is FUGWYGTZONSVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-11-9-12(16(8-4)15-11)10-13(17)14(18,6-2)7-3/h9,13,17-18H,5-8,10H2,1-4H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol?
1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol has a molecular weight of 254.37 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol is sourced from PubChem (CID 103449476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).