(3-ethyl-5-methyl-1H-pyrazol-4-yl)methanol

C7H12N2O — CID 54850961

IUPAC(3-ethyl-5-methyl-1H-pyrazol-4-yl)methanol
SMILESCCc1n[nH]c(C)c1CO
InChIInChI=1S/C7H12N2O/c1-3-7-6(4-10)5(2)8-9-7/h10H,3-4H2,1-2H3,(H,8,9)
InChIKeyYQPGOKDHLBNIGE-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.77
Rot. Bonds2

About (3-ethyl-5-methyl-1H-pyrazol-4-yl)methanol

(3-ethyl-5-methyl-1H-pyrazol-4-yl)methanol (PubChem CID 54850961) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (3-ethyl-5-methyl-1H-pyrazol-4-yl)methanol.

Molecular Properties

Compound Name(3-ethyl-5-methyl-1H-pyrazol-4-yl)methanol
PubChem CID54850961
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(3-ethyl-5-methyl-1H-pyrazol-4-yl)methanol
SMILESCCc1n[nH]c(C)c1CO
InChIInChI=1S/C7H12N2O/c1-3-7-6(4-10)5(2)8-9-7/h10H,3-4H2,1-2H3,(H,8,9)
InChIKeyYQPGOKDHLBNIGE-UHFFFAOYSA-N
XLogP0.77
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-methyl-1H-pyrazol-4-yl)methanol?
The IUPAC name of (3-ethyl-5-methyl-1H-pyrazol-4-yl)methanol (CID 54850961) is (3-ethyl-5-methyl-1H-pyrazol-4-yl)methanol.
What is the SMILES notation for (3-ethyl-5-methyl-1H-pyrazol-4-yl)methanol?
The canonical SMILES for (3-ethyl-5-methyl-1H-pyrazol-4-yl)methanol is CCc1n[nH]c(C)c1CO.
What is the InChIKey of (3-ethyl-5-methyl-1H-pyrazol-4-yl)methanol?
The InChIKey is YQPGOKDHLBNIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-7-6(4-10)5(2)8-9-7/h10H,3-4H2,1-2H3,(H,8,9).
What are the key properties of (3-ethyl-5-methyl-1H-pyrazol-4-yl)methanol?
(3-ethyl-5-methyl-1H-pyrazol-4-yl)methanol has a molecular weight of 140.19 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-methyl-1H-pyrazol-4-yl)methanol is sourced from PubChem (CID 54850961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).