3-[5-amino-1-(2-fluorophenyl)pyrazol-4-yl]propan-1-ol

C12H14FN3O — CID 63376503

IUPAC3-[5-amino-1-(2-fluorophenyl)pyrazol-4-yl]propan-1-ol
SMILESNc1c(CCCO)cnn1-c1ccccc1F
InChIInChI=1S/C12H14FN3O/c13-10-5-1-2-6-11(10)16-12(14)9(8-15-16)4-3-7-17/h1-2,5-6,8,17H,3-4,7,14H2
InChIKeyMPKIVAAECHPINQ-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.52
Rot. Bonds4

About 3-[5-amino-1-(2-fluorophenyl)pyrazol-4-yl]propan-1-ol

3-[5-amino-1-(2-fluorophenyl)pyrazol-4-yl]propan-1-ol (PubChem CID 63376503) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 3-[5-amino-1-(2-fluorophenyl)pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-amino-1-(2-fluorophenyl)pyrazol-4-yl]propan-1-ol
PubChem CID63376503
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name3-[5-amino-1-(2-fluorophenyl)pyrazol-4-yl]propan-1-ol
SMILESNc1c(CCCO)cnn1-c1ccccc1F
InChIInChI=1S/C12H14FN3O/c13-10-5-1-2-6-11(10)16-12(14)9(8-15-16)4-3-7-17/h1-2,5-6,8,17H,3-4,7,14H2
InChIKeyMPKIVAAECHPINQ-UHFFFAOYSA-N
XLogP1.52
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-1-(2-fluorophenyl)pyrazol-4-yl]propan-1-ol?
The IUPAC name of 3-[5-amino-1-(2-fluorophenyl)pyrazol-4-yl]propan-1-ol (CID 63376503) is 3-[5-amino-1-(2-fluorophenyl)pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[5-amino-1-(2-fluorophenyl)pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[5-amino-1-(2-fluorophenyl)pyrazol-4-yl]propan-1-ol is Nc1c(CCCO)cnn1-c1ccccc1F.
What is the InChIKey of 3-[5-amino-1-(2-fluorophenyl)pyrazol-4-yl]propan-1-ol?
The InChIKey is MPKIVAAECHPINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c13-10-5-1-2-6-11(10)16-12(14)9(8-15-16)4-3-7-17/h1-2,5-6,8,17H,3-4,7,14H2.
What are the key properties of 3-[5-amino-1-(2-fluorophenyl)pyrazol-4-yl]propan-1-ol?
3-[5-amino-1-(2-fluorophenyl)pyrazol-4-yl]propan-1-ol has a molecular weight of 235.26 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-1-(2-fluorophenyl)pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 63376503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).