[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-hydroxyethyl)phenyl]methanone

C18H16FN3O2 — CID 70103235

IUPAC[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-hydroxyethyl)phenyl]methanone
SMILESNc1n[nH]c(-c2ccc(F)cc2)c1C(=O)c1cccc(CCO)c1
InChIInChI=1S/C18H16FN3O2/c19-14-6-4-12(5-7-14)16-15(18(20)22-21-16)17(24)13-3-1-2-11(10-13)8-9-23/h1-7,10,23H,8-9H2,(H3,20,21,22)
InChIKeyFKSYKFTYMPJNCO-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.56
Rot. Bonds5

About [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-hydroxyethyl)phenyl]methanone

[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-hydroxyethyl)phenyl]methanone (PubChem CID 70103235) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-hydroxyethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-hydroxyethyl)phenyl]methanone
PubChem CID70103235
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-hydroxyethyl)phenyl]methanone
SMILESNc1n[nH]c(-c2ccc(F)cc2)c1C(=O)c1cccc(CCO)c1
InChIInChI=1S/C18H16FN3O2/c19-14-6-4-12(5-7-14)16-15(18(20)22-21-16)17(24)13-3-1-2-11(10-13)8-9-23/h1-7,10,23H,8-9H2,(H3,20,21,22)
InChIKeyFKSYKFTYMPJNCO-UHFFFAOYSA-N
XLogP2.56
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-hydroxyethyl)phenyl]methanone?
The IUPAC name of [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-hydroxyethyl)phenyl]methanone (CID 70103235) is [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-hydroxyethyl)phenyl]methanone.
What is the SMILES notation for [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-hydroxyethyl)phenyl]methanone?
The canonical SMILES for [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-hydroxyethyl)phenyl]methanone is Nc1n[nH]c(-c2ccc(F)cc2)c1C(=O)c1cccc(CCO)c1.
What is the InChIKey of [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-hydroxyethyl)phenyl]methanone?
The InChIKey is FKSYKFTYMPJNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-14-6-4-12(5-7-14)16-15(18(20)22-21-16)17(24)13-3-1-2-11(10-13)8-9-23/h1-7,10,23H,8-9H2,(H3,20,21,22).
What are the key properties of [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-hydroxyethyl)phenyl]methanone?
[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-hydroxyethyl)phenyl]methanone has a molecular weight of 325.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-hydroxyethyl)phenyl]methanone is sourced from PubChem (CID 70103235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).