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

C17H17FN4O — CID 22037776

IUPAC3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]propan-1-ol
SMILESOCCCNc1cc(-c2cn[nH]c2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C17H17FN4O/c18-14-4-2-12(3-5-14)17-15(11-21-22-17)13-6-8-20-16(10-13)19-7-1-9-23/h2-6,8,10-11,23H,1,7,9H2,(H,19,20)(H,21,22)
InChIKeyITNJXFMSSZHKOD-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.07
Rot. Bonds6

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

3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]propan-1-ol (PubChem CID 22037776) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]propan-1-ol
PubChem CID22037776
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]propan-1-ol
SMILESOCCCNc1cc(-c2cn[nH]c2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C17H17FN4O/c18-14-4-2-12(3-5-14)17-15(11-21-22-17)13-6-8-20-16(10-13)19-7-1-9-23/h2-6,8,10-11,23H,1,7,9H2,(H,19,20)(H,21,22)
InChIKeyITNJXFMSSZHKOD-UHFFFAOYSA-N
XLogP3.07
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
CID 22037392
4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)pyridin-2-amine
CID 22037335
[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]methanol
CID 71710905
(2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol
CID 70208992
2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol
CID 22953659
N-ethyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-amine;morpholine
CID 174409747
2-fluoro-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037455
(E)-2-[(1Z)-buta-1,3-dienyl]-N'-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]prop-1-ene-1,3-diamine
CID 89331589
tert-butyl N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]carbamate
CID 23080651
(2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-1-phenylpropan-2-ol
CID 91090096
3-[[4-[7-(4-fluorophenyl)-3-(3-hydroxypropylamino)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]amino]propan-1-ol
CID 67242801
4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-phenylethenyl)pyridin-2-amine
CID 174586818

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]propan-1-ol?
The IUPAC name of 3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]propan-1-ol (CID 22037776) is 3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]propan-1-ol?
The canonical SMILES for 3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]propan-1-ol is OCCCNc1cc(-c2cn[nH]c2-c2ccc(F)cc2)ccn1.
What is the InChIKey of 3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]propan-1-ol?
The InChIKey is ITNJXFMSSZHKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c18-14-4-2-12(3-5-14)17-15(11-21-22-17)13-6-8-20-16(10-13)19-7-1-9-23/h2-6,8,10-11,23H,1,7,9H2,(H,19,20)(H,21,22).
What are the key properties of 3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]propan-1-ol?
3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]propan-1-ol has a molecular weight of 312.35 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 22037776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).