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

C19H18FN3O2 — CID 70102857

IUPAC[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(3-hydroxypropyl)phenyl]methanone
SMILESNc1n[nH]c(-c2ccc(F)cc2)c1C(=O)c1ccc(CCCO)cc1
InChIInChI=1S/C19H18FN3O2/c20-15-9-7-13(8-10-15)17-16(19(21)23-22-17)18(25)14-5-3-12(4-6-14)2-1-11-24/h3-10,24H,1-2,11H2,(H3,21,22,23)
InChIKeyLOEIVZQUQCRUEB-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.95
Rot. Bonds6

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

[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(3-hydroxypropyl)phenyl]methanone (PubChem CID 70102857) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(3-hydroxypropyl)phenyl]methanone.

Molecular Properties

Compound Name[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(3-hydroxypropyl)phenyl]methanone
PubChem CID70102857
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(3-hydroxypropyl)phenyl]methanone
SMILESNc1n[nH]c(-c2ccc(F)cc2)c1C(=O)c1ccc(CCCO)cc1
InChIInChI=1S/C19H18FN3O2/c20-15-9-7-13(8-10-15)17-16(19(21)23-22-17)18(25)14-5-3-12(4-6-14)2-1-11-24/h3-10,24H,1-2,11H2,(H3,21,22,23)
InChIKeyLOEIVZQUQCRUEB-UHFFFAOYSA-N
XLogP2.95
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.95
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]-[4-(3-hydroxypropyl)phenyl]methanone?
The IUPAC name of [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(3-hydroxypropyl)phenyl]methanone (CID 70102857) is [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(3-hydroxypropyl)phenyl]methanone.
What is the SMILES notation for [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(3-hydroxypropyl)phenyl]methanone?
The canonical SMILES for [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(3-hydroxypropyl)phenyl]methanone is Nc1n[nH]c(-c2ccc(F)cc2)c1C(=O)c1ccc(CCCO)cc1.
What is the InChIKey of [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(3-hydroxypropyl)phenyl]methanone?
The InChIKey is LOEIVZQUQCRUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-15-9-7-13(8-10-15)17-16(19(21)23-22-17)18(25)14-5-3-12(4-6-14)2-1-11-24/h3-10,24H,1-2,11H2,(H3,21,22,23).
What are the key properties of [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(3-hydroxypropyl)phenyl]methanone?
[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(3-hydroxypropyl)phenyl]methanone has a molecular weight of 339.37 g/mol, XLogP of 2.95, 6 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]-[4-(3-hydroxypropyl)phenyl]methanone is sourced from PubChem (CID 70102857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).