[1-[(3-fluorophenyl)methyl]-5-propylpyrazol-4-yl]methanol

C14H17FN2O — CID 66439220

IUPAC[1-[(3-fluorophenyl)methyl]-5-propylpyrazol-4-yl]methanol
SMILESCCCc1c(CO)cnn1Cc1cccc(F)c1
InChIInChI=1S/C14H17FN2O/c1-2-4-14-12(10-18)8-16-17(14)9-11-5-3-6-13(15)7-11/h3,5-8,18H,2,4,9-10H2,1H3
InChIKeyZPYDOPJFGPZJQY-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.52
Rot. Bonds5

About [1-[(3-fluorophenyl)methyl]-5-propylpyrazol-4-yl]methanol

[1-[(3-fluorophenyl)methyl]-5-propylpyrazol-4-yl]methanol (PubChem CID 66439220) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is [1-[(3-fluorophenyl)methyl]-5-propylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(3-fluorophenyl)methyl]-5-propylpyrazol-4-yl]methanol
PubChem CID66439220
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name[1-[(3-fluorophenyl)methyl]-5-propylpyrazol-4-yl]methanol
SMILESCCCc1c(CO)cnn1Cc1cccc(F)c1
InChIInChI=1S/C14H17FN2O/c1-2-4-14-12(10-18)8-16-17(14)9-11-5-3-6-13(15)7-11/h3,5-8,18H,2,4,9-10H2,1H3
InChIKeyZPYDOPJFGPZJQY-UHFFFAOYSA-N
XLogP2.52
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-methylphenyl)methyl]-5-propylpyrazol-4-yl]methanol
CID 66437458
[1-[(3-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methanamine
CID 63278587
5-bromo-1-[(3-fluorophenyl)methyl]pyrazol-4-ol
CID 117232569
2-[5-chloro-1-[(3-fluorophenyl)methyl]pyrazol-4-yl]acetic acid
CID 115068562
4-(chloromethyl)-1-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazole
CID 66438838
[5-chloro-1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol
CID 115068523
[1-(3-chlorophenyl)-5-propylpyrazol-4-yl]methanol
CID 66437018
[1-[(3-bromophenyl)methyl]-5-chloropyrazol-4-yl]methanol
CID 115068526
4-(bromomethyl)-1-[(4-chlorophenyl)methyl]-5-propylpyrazole
CID 66436656
N-ethyl-1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384471
[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methanol
CID 66436357
[5-cyclopropyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanol
CID 82211758

Frequently Asked Questions

What is the IUPAC name of [1-[(3-fluorophenyl)methyl]-5-propylpyrazol-4-yl]methanol?
The IUPAC name of [1-[(3-fluorophenyl)methyl]-5-propylpyrazol-4-yl]methanol (CID 66439220) is [1-[(3-fluorophenyl)methyl]-5-propylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-[(3-fluorophenyl)methyl]-5-propylpyrazol-4-yl]methanol?
The canonical SMILES for [1-[(3-fluorophenyl)methyl]-5-propylpyrazol-4-yl]methanol is CCCc1c(CO)cnn1Cc1cccc(F)c1.
What is the InChIKey of [1-[(3-fluorophenyl)methyl]-5-propylpyrazol-4-yl]methanol?
The InChIKey is ZPYDOPJFGPZJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-2-4-14-12(10-18)8-16-17(14)9-11-5-3-6-13(15)7-11/h3,5-8,18H,2,4,9-10H2,1H3.
What are the key properties of [1-[(3-fluorophenyl)methyl]-5-propylpyrazol-4-yl]methanol?
[1-[(3-fluorophenyl)methyl]-5-propylpyrazol-4-yl]methanol has a molecular weight of 248.30 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-fluorophenyl)methyl]-5-propylpyrazol-4-yl]methanol is sourced from PubChem (CID 66439220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).