1-fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-2-ol

C10H17FN2O — CID 178165944

IUPAC1-fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-2-ol
SMILESCc1cc(C(C)C)nn1CC(O)CF
InChIInChI=1S/C10H17FN2O/c1-7(2)10-4-8(3)13(12-10)6-9(14)5-11/h4,7,9,14H,5-6H2,1-3H3
InChIKeyJTAFCNHBROKXEH-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.65
Rot. Bonds4

About 1-fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-2-ol

1-fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-2-ol (PubChem CID 178165944) has the molecular formula C10H17FN2O and a molecular weight of 200.26 g/mol. Its IUPAC name is 1-fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-2-ol
PubChem CID178165944
Molecular FormulaC10H17FN2O
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC Name1-fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-2-ol
SMILESCc1cc(C(C)C)nn1CC(O)CF
InChIInChI=1S/C10H17FN2O/c1-7(2)10-4-8(3)13(12-10)6-9(14)5-11/h4,7,9,14H,5-6H2,1-3H3
InChIKeyJTAFCNHBROKXEH-UHFFFAOYSA-N
XLogP1.65
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 259665
2-[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]ethanol
CID 19619759
2-[3-Methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethanol
CID 89833798
1,3-Bis(3,5-dimethylpyrazol-1-yl)-2-propanol
CID 12603688
2-(3,5-Ditert-butylpyrazol-1-yl)ethanol
CID 43531678
1,3-Bis(3,5-ditert-butylpyrazol-1-yl)propan-2-ol
CID 68778773
N-ethyl-N-[(3-isobutyl-1-methyl-1H-pyrazol-5-yl)methyl]-2-methoxyethanamine
CID 50982267
trans-(1S,2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 164632416
1-[(1S)-2-(3,5-diethylpyrazol-1-yl)-1-hydroxyethyl]cyclobutan-1-ol
CID 164637937
1-Ethyl-3-propan-2-yl-5-(trifluoromethyl)pyrazole
CID 20664188
1-Ethyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 20664190
2-(3-isopropyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid
CID 44469050

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-2-ol?
The IUPAC name of 1-fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-2-ol (CID 178165944) is 1-fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for 1-fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-2-ol is Cc1cc(C(C)C)nn1CC(O)CF.
What is the InChIKey of 1-fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-2-ol?
The InChIKey is JTAFCNHBROKXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O/c1-7(2)10-4-8(3)13(12-10)6-9(14)5-11/h4,7,9,14H,5-6H2,1-3H3.
What are the key properties of 1-fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-2-ol?
1-fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-2-ol has a molecular weight of 200.26 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 178165944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).