ethanol;1H-pyrazole

C5H10N2O — CID 66601876

IUPACethanol;1H-pyrazole
SMILESCCO.c1cn[nH]c1
InChIInChI=1S/C3H4N2.C2H6O/c1-2-4-5-3-1;1-2-3/h1-3H,(H,4,5);3H,2H2,1H3
InChIKeyBGMVLTCYJZQHHW-UHFFFAOYSA-N
MW114.15 g/mol
LogP0.41
Rot. Bonds

About ethanol;1H-pyrazole

ethanol;1H-pyrazole (PubChem CID 66601876) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is ethanol;1H-pyrazole.

Molecular Properties

Compound Nameethanol;1H-pyrazole
PubChem CID66601876
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Nameethanol;1H-pyrazole
SMILESCCO.c1cn[nH]c1
InChIInChI=1S/C3H4N2.C2H6O/c1-2-4-5-3-1;1-2-3/h1-3H,(H,4,5);3H,2H2,1H3
InChIKeyBGMVLTCYJZQHHW-UHFFFAOYSA-N
XLogP0.41
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrazole
CID 1048
1H-Pyrazole, hydrochloride (1:1)
CID 190350
Pyrazole-d4
CID 71309634
Pyrazolium
CID 3416953
1-Deuteriopyrazole
CID 12262518
4-Deuteropyrazole
CID 13971148
Diethyl 1H-pyrazol-3-ylphosphonate
CID 15550888
Pyrazole propionic acid
CID 19797570
Pyrazole carbamate
CID 21692575
Pyrazole acetic acid
CID 22217988
5-deuterio-1H-pyrazole
CID 54448774
Diazolhydrat
CID 69154856

Frequently Asked Questions

What is the IUPAC name of ethanol;1H-pyrazole?
The IUPAC name of ethanol;1H-pyrazole (CID 66601876) is ethanol;1H-pyrazole.
What is the SMILES notation for ethanol;1H-pyrazole?
The canonical SMILES for ethanol;1H-pyrazole is CCO.c1cn[nH]c1.
What is the InChIKey of ethanol;1H-pyrazole?
The InChIKey is BGMVLTCYJZQHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.C2H6O/c1-2-4-5-3-1;1-2-3/h1-3H,(H,4,5);3H,2H2,1H3.
What are the key properties of ethanol;1H-pyrazole?
ethanol;1H-pyrazole has a molecular weight of 114.15 g/mol, XLogP of 0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;1H-pyrazole is sourced from PubChem (CID 66601876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).