2-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol

C15H16FN5O — CID 110928875

IUPAC2-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol
SMILESOCCn1cc(NCc2cn[nH]c2-c2ccc(F)cc2)cn1
InChIInChI=1S/C15H16FN5O/c16-13-3-1-11(2-4-13)15-12(8-18-20-15)7-17-14-9-19-21(10-14)5-6-22/h1-4,8-10,17,22H,5-7H2,(H,18,20)
InChIKeyOIPAJLSGBWIXLH-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.02
Rot. Bonds6

About 2-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol

2-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol (PubChem CID 110928875) has the molecular formula C15H16FN5O and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol
PubChem CID110928875
Molecular FormulaC15H16FN5O
Molecular Weight301.32 g/mol
Exact Mass301.13
IUPAC Name2-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol
SMILESOCCn1cc(NCc2cn[nH]c2-c2ccc(F)cc2)cn1
InChIInChI=1S/C15H16FN5O/c16-13-3-1-11(2-4-13)15-12(8-18-20-15)7-17-14-9-19-21(10-14)5-6-22/h1-4,8-10,17,22H,5-7H2,(H,18,20)
InChIKeyOIPAJLSGBWIXLH-UHFFFAOYSA-N
XLogP2.02
TPSA78.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol (CID 110928875) is 2-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol is OCCn1cc(NCc2cn[nH]c2-c2ccc(F)cc2)cn1.
What is the InChIKey of 2-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol?
The InChIKey is OIPAJLSGBWIXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O/c16-13-3-1-11(2-4-13)15-12(8-18-20-15)7-17-14-9-19-21(10-14)5-6-22/h1-4,8-10,17,22H,5-7H2,(H,18,20).
What are the key properties of 2-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol?
2-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol has a molecular weight of 301.32 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 110928875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).