[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methanol

C11H12FN3O — CID 115069654

IUPAC[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methanol
SMILESNc1c(CO)cnn1Cc1ccc(F)cc1
InChIInChI=1S/C11H12FN3O/c12-10-3-1-8(2-4-10)6-15-11(13)9(7-16)5-14-15/h1-5,16H,6-7,13H2
InChIKeyTZOSKFJQBSGJSG-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.14
Rot. Bonds3

About [5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methanol

[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methanol (PubChem CID 115069654) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is [5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methanol
PubChem CID115069654
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methanol
SMILESNc1c(CO)cnn1Cc1ccc(F)cc1
InChIInChI=1S/C11H12FN3O/c12-10-3-1-8(2-4-10)6-15-11(13)9(7-16)5-14-15/h1-5,16H,6-7,13H2
InChIKeyTZOSKFJQBSGJSG-UHFFFAOYSA-N
XLogP1.14
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]pyrazol-5-amine
CID 15129849
[5-amino-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol
CID 115069601
5-chloro-1-[(4-fluorophenyl)methyl]pyrazol-4-ol
CID 117232697
4-(3-aminopropyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine
CID 115069683
1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-amine
CID 66439624
1-[(4-fluorophenyl)methyl]-5-methylpyrazole
CID 63278751
5-bromo-1-[(4-fluorophenyl)methyl]-4-methoxypyrazole
CID 117232705
[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]methanol
CID 115068469
1-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine
CID 66442394
1-[(4-fluorophenyl)methyl]-5,7-dimethylindazol-4-amine
CID 123309959
[1-[(4-methylphenyl)methyl]-5-propylpyrazol-4-yl]methanol
CID 66437458
3-[[5-amino-4-(aminomethyl)pyrazol-1-yl]methyl]phenol
CID 115069565

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methanol?
The IUPAC name of [5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methanol (CID 115069654) is [5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methanol?
The canonical SMILES for [5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methanol is Nc1c(CO)cnn1Cc1ccc(F)cc1.
What is the InChIKey of [5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methanol?
The InChIKey is TZOSKFJQBSGJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c12-10-3-1-8(2-4-10)6-15-11(13)9(7-16)5-14-15/h1-5,16H,6-7,13H2.
What are the key properties of [5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methanol?
[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methanol has a molecular weight of 221.24 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 115069654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).