[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(morpholin-4-ylamino)methanol

C14H17FN4O2 — CID 91227404

IUPAC[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(morpholin-4-ylamino)methanol
SMILESOC(NN1CCOCC1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C14H17FN4O2/c15-11-3-1-10(2-4-11)12-9-13(17-16-12)14(20)18-19-5-7-21-8-6-19/h1-4,9,14,18,20H,5-8H2,(H,16,17)
InChIKeyATSFPYOMIHRNNQ-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.04
Rot. Bonds4

About [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(morpholin-4-ylamino)methanol

[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(morpholin-4-ylamino)methanol (PubChem CID 91227404) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(morpholin-4-ylamino)methanol.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(morpholin-4-ylamino)methanol
PubChem CID91227404
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(morpholin-4-ylamino)methanol
SMILESOC(NN1CCOCC1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C14H17FN4O2/c15-11-3-1-10(2-4-11)12-9-13(17-16-12)14(20)18-19-5-7-21-8-6-19/h1-4,9,14,18,20H,5-8H2,(H,16,17)
InChIKeyATSFPYOMIHRNNQ-UHFFFAOYSA-N
XLogP1.04
TPSA73.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(morpholin-4-ylamino)methanol?
The IUPAC name of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(morpholin-4-ylamino)methanol (CID 91227404) is [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(morpholin-4-ylamino)methanol.
What is the SMILES notation for [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(morpholin-4-ylamino)methanol?
The canonical SMILES for [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(morpholin-4-ylamino)methanol is OC(NN1CCOCC1)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(morpholin-4-ylamino)methanol?
The InChIKey is ATSFPYOMIHRNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c15-11-3-1-10(2-4-11)12-9-13(17-16-12)14(20)18-19-5-7-21-8-6-19/h1-4,9,14,18,20H,5-8H2,(H,16,17).
What are the key properties of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(morpholin-4-ylamino)methanol?
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(morpholin-4-ylamino)methanol has a molecular weight of 292.31 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(morpholin-4-ylamino)methanol is sourced from PubChem (CID 91227404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).