3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol

C8H14N2O — CID 105430140

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol
SMILESCc1n[nH]c(C)c1CCCO
InChIInChI=1S/C8H14N2O/c1-6-8(4-3-5-11)7(2)10-9-6/h11H,3-5H2,1-2H3,(H,9,10)
InChIKeyKPSLMMMHDPNHFH-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.95
Rot. Bonds3

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol

3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol (PubChem CID 105430140) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol
PubChem CID105430140
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol
SMILESCc1n[nH]c(C)c1CCCO
InChIInChI=1S/C8H14N2O/c1-6-8(4-3-5-11)7(2)10-9-6/h11H,3-5H2,1-2H3,(H,9,10)
InChIKeyKPSLMMMHDPNHFH-UHFFFAOYSA-N
XLogP0.95
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 776058
2-(3,5-dimethyl-1H-pyrazol-4-yl)ethan-1-ol
CID 12762342
1-(3,5-dimethyl-1H-pyrazol-4-yl)but-3-en-2-ol
CID 657555
3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoic acid
CID 23005990
(1S,4R)-4-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopent-2-enol
CID 51136228
4-Hydroxybutyl-3,5-bis-(tetrafluoroethyl)pyrazole
CID 129877153
(5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol
CID 121213173
(5-isopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol
CID 121213174
[3-(2-fluoropropan-2-yl)-4-methyl-1H-pyrazol-5-yl]methanol
CID 163425053
3,5-Dimethyl-4-propyl-1H-pyrazole
CID 12933275
cis-(1R,3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopentan-1-ol
CID 177823279
methyl 3-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)propanimidate
CID 121213235

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol (CID 105430140) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol is Cc1n[nH]c(C)c1CCCO.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol?
The InChIKey is KPSLMMMHDPNHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6-8(4-3-5-11)7(2)10-9-6/h11H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol?
3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol has a molecular weight of 154.21 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 105430140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).