3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-ol

C8H12N2O — CID 169452847

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-ol
SMILESCc1n[nH]c(C)c1C=CCO
InChIInChI=1S/C8H12N2O/c1-6-8(4-3-5-11)7(2)10-9-6/h3-4,11H,5H2,1-2H3,(H,9,10)
InChIKeyLAISQAJKEATMJR-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.03
Rot. Bonds2

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-ol

3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-ol (PubChem CID 169452847) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-ol
PubChem CID169452847
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-ol
SMILESCc1n[nH]c(C)c1C=CCO
InChIInChI=1S/C8H12N2O/c1-6-8(4-3-5-11)7(2)10-9-6/h3-4,11H,5H2,1-2H3,(H,9,10)
InChIKeyLAISQAJKEATMJR-UHFFFAOYSA-N
XLogP1.03
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylprop-2-en-1-amine
CID 169473063
4-(3,5-dimethyl-1H-pyrazol-4-yl)but-3-enenitrile
CID 170799104
(E)-3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid
CID 25219334
4-(3-amino-5-methyl-1H-pyrazol-4-yl)but-3-enoic acid
CID 170483095
N-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine
CID 169473905
4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]but-3-enal
CID 170482186
(3,5-dimethyl-1H-pyrazol-4-yl)-trimethyl-λ4-sulfane
CID 123906722
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-en-1-ol
CID 169454458
ethyl 4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]but-3-enoate
CID 170796469
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-methylbutan-1-ol
CID 64550985
N-[2-ethyl-2-(hydroxymethyl)butyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 103914972
3-ethyl-5-methyl-1H-pyrazole-4-carbaldehyde
CID 121212718

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-ol?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-ol (CID 169452847) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-ol.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-ol?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-ol is Cc1n[nH]c(C)c1C=CCO.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-ol?
The InChIKey is LAISQAJKEATMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-8(4-3-5-11)7(2)10-9-6/h3-4,11H,5H2,1-2H3,(H,9,10).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-ol?
3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-ol has a molecular weight of 152.20 g/mol, XLogP of 1.03, 2 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)prop-2-en-1-ol is sourced from PubChem (CID 169452847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).