3-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]propan-1-ol

C8H14N2O2 — CID 115092133

IUPAC3-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]propan-1-ol
SMILESCn1nc(CCCO)cc1CO
InChIInChI=1S/C8H14N2O2/c1-10-8(6-12)5-7(9-10)3-2-4-11/h5,11-12H,2-4,6H2,1H3
InChIKeyIRFBQKOBMGOHNS-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.16
Rot. Bonds4

About 3-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]propan-1-ol

3-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]propan-1-ol (PubChem CID 115092133) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]propan-1-ol
PubChem CID115092133
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]propan-1-ol
SMILESCn1nc(CCCO)cc1CO
InChIInChI=1S/C8H14N2O2/c1-10-8(6-12)5-7(9-10)3-2-4-11/h5,11-12H,2-4,6H2,1H3
InChIKeyIRFBQKOBMGOHNS-UHFFFAOYSA-N
XLogP-0.16
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]ethanol
CID 115092153
(5-ethyl-1-methylpyrazol-3-yl)methanol
CID 23005581
3-(1-methyl-5-propylpyrazol-3-yl)propan-1-amine
CID 105439768
1-(3-ethyl-1-methylpyrazol-5-yl)-5-hydroxypentan-2-one
CID 106677524
3-[5-(hydroxymethyl)-1-methylpyrrol-3-yl]propan-1-ol
CID 55266093
3-(3,5-diethylpyrazol-1-yl)propan-1-ol
CID 82694262
tert-butyl N-[2-[5-(2-hydroxyethyl)-1-methylpyrazol-3-yl]ethyl]carbamate
CID 175661258
[3-[(1-ethylpiperidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanol
CID 115092755
3-(3-methylimidazol-4-yl)propan-1-ol
CID 45087839
ethane;(1-methyl-3-phenylpyrazol-5-yl)methanol
CID 168921661
(3-ethyl-1-propylpyrazol-5-yl)methanol
CID 122663118
[1-methyl-5-(2-phenylmethoxyethyl)pyrazol-3-yl]methanol
CID 155905737

Frequently Asked Questions

What is the IUPAC name of 3-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]propan-1-ol?
The IUPAC name of 3-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]propan-1-ol (CID 115092133) is 3-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]propan-1-ol?
The canonical SMILES for 3-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]propan-1-ol is Cn1nc(CCCO)cc1CO.
What is the InChIKey of 3-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]propan-1-ol?
The InChIKey is IRFBQKOBMGOHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-10-8(6-12)5-7(9-10)3-2-4-11/h5,11-12H,2-4,6H2,1H3.
What are the key properties of 3-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]propan-1-ol?
3-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]propan-1-ol has a molecular weight of 170.21 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]propan-1-ol is sourced from PubChem (CID 115092133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).