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

C10H17FN2O — CID 178165917

IUPAC2-fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-1-ol
SMILESCc1cc(C(C)C)nn1CC(F)CO
InChIInChI=1S/C10H17FN2O/c1-7(2)10-4-8(3)13(12-10)5-9(11)6-14/h4,7,9,14H,5-6H2,1-3H3
InChIKeyHYNGHDJKWWFCOH-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.65
Rot. Bonds4

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

2-fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-1-ol (PubChem CID 178165917) has the molecular formula C10H17FN2O and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-1-ol
PubChem CID178165917
Molecular FormulaC10H17FN2O
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC Name2-fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-1-ol
SMILESCc1cc(C(C)C)nn1CC(F)CO
InChIInChI=1S/C10H17FN2O/c1-7(2)10-4-8(3)13(12-10)5-9(11)6-14/h4,7,9,14H,5-6H2,1-3H3
InChIKeyHYNGHDJKWWFCOH-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 7018513
3-(1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)propan-1-ol
CID 75175982
2-(3,5-Ditert-butylpyrazol-1-yl)ethanol
CID 43531678
N-ethyl-N-[(3-isobutyl-1-methyl-1H-pyrazol-5-yl)methyl]-2-methoxyethanamine
CID 50982267
4-[[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl](methyl)amino]-2-methylbutan-2-ol
CID 91832922
[1-[(2,5-Dimethylpyrazol-3-yl)methyl]-4,4-difluoropiperidin-3-yl]methanol
CID 124051235
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
1-(2,2-Difluoroethyl)-5-methyl-3-propan-2-ylpyrazole
CID 58029646
1-(1-Fluoroethyl)-3-methyl-5-propan-2-ylpyrazole
CID 58030264

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-1-ol?
The IUPAC name of 2-fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-1-ol (CID 178165917) is 2-fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-1-ol.
What is the SMILES notation for 2-fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-1-ol?
The canonical SMILES for 2-fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-1-ol is Cc1cc(C(C)C)nn1CC(F)CO.
What is the InChIKey of 2-fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-1-ol?
The InChIKey is HYNGHDJKWWFCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O/c1-7(2)10-4-8(3)13(12-10)5-9(11)6-14/h4,7,9,14H,5-6H2,1-3H3.
What are the key properties of 2-fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-1-ol?
2-fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-1-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 2-fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-1-ol is sourced from PubChem (CID 178165917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).