(2-methyl-1,5-dihydropyrazol-5-yl)methanol

C5H10N2O — CID 134591619

IUPAC(2-methyl-1,5-dihydropyrazol-5-yl)methanol
SMILESCN1C=CC(CO)N1
InChIInChI=1S/C5H10N2O/c1-7-3-2-5(4-8)6-7/h2-3,5-6,8H,4H2,1H3
InChIKeyHBAZCCDWUARVQG-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.69
Rot. Bonds1

About (2-methyl-1,5-dihydropyrazol-5-yl)methanol

(2-methyl-1,5-dihydropyrazol-5-yl)methanol (PubChem CID 134591619) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is (2-methyl-1,5-dihydropyrazol-5-yl)methanol.

Molecular Properties

Compound Name(2-methyl-1,5-dihydropyrazol-5-yl)methanol
PubChem CID134591619
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name(2-methyl-1,5-dihydropyrazol-5-yl)methanol
SMILESCN1C=CC(CO)N1
InChIInChI=1S/C5H10N2O/c1-7-3-2-5(4-8)6-7/h2-3,5-6,8H,4H2,1H3
InChIKeyHBAZCCDWUARVQG-UHFFFAOYSA-N
XLogP-0.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,5-dihydropyrazol-5-yl)methanol?
The IUPAC name of (2-methyl-1,5-dihydropyrazol-5-yl)methanol (CID 134591619) is (2-methyl-1,5-dihydropyrazol-5-yl)methanol.
What is the SMILES notation for (2-methyl-1,5-dihydropyrazol-5-yl)methanol?
The canonical SMILES for (2-methyl-1,5-dihydropyrazol-5-yl)methanol is CN1C=CC(CO)N1.
What is the InChIKey of (2-methyl-1,5-dihydropyrazol-5-yl)methanol?
The InChIKey is HBAZCCDWUARVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-7-3-2-5(4-8)6-7/h2-3,5-6,8H,4H2,1H3.
What are the key properties of (2-methyl-1,5-dihydropyrazol-5-yl)methanol?
(2-methyl-1,5-dihydropyrazol-5-yl)methanol has a molecular weight of 114.15 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,5-dihydropyrazol-5-yl)methanol is sourced from PubChem (CID 134591619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).