3-(1-methyl-1H-pyrazol-5-yl)propan-1-ol

C7H12N2O — CID 64515300

IUPAC3-(2-methylpyrazol-3-yl)propan-1-ol
SMILESCN1C(=CC=N1)CCCO
InChIInChI=1S/C7H12N2O/c1-9-7(3-2-6-10)4-5-8-9/h4-5,10H,2-3,6H2,1H3
InChIKeyQCJKGEQAOIQBSZ-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.20
Rot. Bonds3

About 3-(1-methyl-1H-pyrazol-5-yl)propan-1-ol

3-(1-methyl-1H-pyrazol-5-yl)propan-1-ol (PubChem CID 64515300) has the molecular formula C7H12N2O and a molecular weight of 140.18 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-methyl-1H-pyrazol-5-yl)propan-1-ol
PubChem CID64515300
Molecular FormulaC7H12N2O
Molecular Weight140.18 g/mol
Exact Mass140.09
IUPAC Name3-(2-methylpyrazol-3-yl)propan-1-ol
SMILESCN1C(=CC=N1)CCCO
InChIInChI=1S/C7H12N2O/c1-9-7(3-2-6-10)4-5-8-9/h4-5,10H,2-3,6H2,1H3
InChIKeyQCJKGEQAOIQBSZ-UHFFFAOYSA-N
XLogP0.20
TPSA38.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity97

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Ethyl-1-methyl-1H-pyrazole
CID 12581083
2-(1-methyl-1H-pyrazol-5-yl)ethan-1-ol
CID 21832419
2-(1-methyl-1H-pyrazol-3-yl)ethan-1-ol
CID 22611360
4H,5H,6H,7H-pyrazolo[1,5-a]pyridin-5-ol
CID 11665422
3-(1-methyl-1H-pyrazol-3-yl)propanoic acid
CID 19622629
3-(1-methyl-1H-pyrazol-5-yl)propanoic acid
CID 19622632
(1R)-1-(1-methyl-1H-pyrazol-3-yl)ethan-1-ol
CID 26370413
(1S)-1-(1-methyl-1H-pyrazol-3-yl)ethan-1-ol
CID 26370414
1-(1-methyl-1H-pyrazol-5-yl)ethan-1-ol
CID 63961152
(1R)-1-(1-methyl-1H-pyrazol-5-yl)ethan-1-ol
CID 95258266
3-(1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)propan-1-ol
CID 75175982
2-[1-(propan-2-yl)-1H-pyrazol-5-yl]ethan-1-ol
CID 83390687

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-1H-pyrazol-5-yl)propan-1-ol?
The IUPAC name of 3-(1-methyl-1H-pyrazol-5-yl)propan-1-ol (CID 64515300) is 3-(2-methylpyrazol-3-yl)propan-1-ol.
What is the SMILES notation for 3-(1-methyl-1H-pyrazol-5-yl)propan-1-ol?
The canonical SMILES for 3-(1-methyl-1H-pyrazol-5-yl)propan-1-ol is CN1C(=CC=N1)CCCO.
What is the InChIKey of 3-(1-methyl-1H-pyrazol-5-yl)propan-1-ol?
The InChIKey is QCJKGEQAOIQBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-9-7(3-2-6-10)4-5-8-9/h4-5,10H,2-3,6H2,1H3.
What are the key properties of 3-(1-methyl-1H-pyrazol-5-yl)propan-1-ol?
3-(1-methyl-1H-pyrazol-5-yl)propan-1-ol has a molecular weight of 140.18 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-1H-pyrazol-5-yl)propan-1-ol is sourced from PubChem (CID 64515300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).