3-(4-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide

C18H17FN6O2 — CID 90544240

IUPAC3-(4-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cc(N2CCOCC2)ncn1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C18H17FN6O2/c19-13-3-1-12(2-4-13)14-9-15(24-23-14)18(26)22-16-10-17(21-11-20-16)25-5-7-27-8-6-25/h1-4,9-11H,5-8H2,(H,23,24)(H,20,21,22,26)
InChIKeyQROXPSYHAOATDT-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.09
Rot. Bonds4

About 3-(4-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide

3-(4-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 90544240) has the molecular formula C18H17FN6O2 and a molecular weight of 368.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID90544240
Molecular FormulaC18H17FN6O2
Molecular Weight368.37 g/mol
Exact Mass368.14
IUPAC Name3-(4-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cc(N2CCOCC2)ncn1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C18H17FN6O2/c19-13-3-1-12(2-4-13)14-9-15(24-23-14)18(26)22-16-10-17(21-11-20-16)25-5-7-27-8-6-25/h1-4,9-11H,5-8H2,(H,23,24)(H,20,21,22,26)
InChIKeyQROXPSYHAOATDT-UHFFFAOYSA-N
XLogP2.09
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methoxyphenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide
CID 90544593
2-chloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
CID 90544108
N-(6-morpholin-4-ylpyrimidin-4-yl)-4-sulfamoylbenzamide
CID 90544119
3,5-dichloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
CID 90544249
N-(6-morpholin-4-ylpyrimidin-4-yl)naphthalene-2-carboxamide
CID 90544116
3-(4-fluorophenyl)-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-1H-pyrazole-5-carboxamide
CID 90491814
6-methoxy-N-(6-morpholin-4-ylpyrimidin-4-yl)pyridazine-3-carboxamide
CID 71794873
3-(4-fluorophenyl)-N-[3-(morpholine-4-carbonyl)phenyl]-1H-pyrazole-5-carboxamide
CID 86996526
2-(4-fluorophenoxy)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122327933
1-(2,5-difluorophenyl)-3-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]urea
CID 122327886
1-(3-fluoro-4-methylphenyl)-3-(6-morpholin-4-ylpyrimidin-4-yl)urea
CID 90544390
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
CID 71794946

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide (CID 90544240) is 3-(4-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide is O=C(Nc1cc(N2CCOCC2)ncn1)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is QROXPSYHAOATDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O2/c19-13-3-1-12(2-4-13)14-9-15(24-23-14)18(26)22-16-10-17(21-11-20-16)25-5-7-27-8-6-25/h1-4,9-11H,5-8H2,(H,23,24)(H,20,21,22,26).
What are the key properties of 3-(4-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 368.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 90544240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).