2-[1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]pyrimidin-4-amine

C15H14FN5O — CID 118150396

IUPAC2-[1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]pyrimidin-4-amine
SMILESCOc1cc(-c2nccc(N)n2)nn1Cc1ccccc1F
InChIInChI=1S/C15H14FN5O/c1-22-14-8-12(15-18-7-6-13(17)19-15)20-21(14)9-10-4-2-3-5-11(10)16/h2-8H,9H2,1H3,(H2,17,18,19)
InChIKeyZLSQHIFPDKOGAI-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.12
Rot. Bonds4

About 2-[1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]pyrimidin-4-amine

2-[1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]pyrimidin-4-amine (PubChem CID 118150396) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]pyrimidin-4-amine
PubChem CID118150396
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]pyrimidin-4-amine
SMILESCOc1cc(-c2nccc(N)n2)nn1Cc1ccccc1F
InChIInChI=1S/C15H14FN5O/c1-22-14-8-12(15-18-7-6-13(17)19-15)20-21(14)9-10-4-2-3-5-11(10)16/h2-8H,9H2,1H3,(H2,17,18,19)
InChIKeyZLSQHIFPDKOGAI-UHFFFAOYSA-N
XLogP2.12
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]pyrimidin-4-yl]amino]propane-1,2-diol
CID 118150194
2-[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-pyridinyl)pyrazol-5-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-(6-methoxy-2-pyridinyl)pyrazol-3-yl]pyrimidine
CID 158132478
3,3,3-trifluoro-2-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]pyrimidin-4-yl]amino]methyl]-2-hydroxypropanamide
CID 118150757
2-[1-[(2-fluorophenyl)methyl]-5-(4-methylphenyl)pyrazol-3-yl]pyrimidine
CID 68642170
N'-amino-1-[(2-fluorophenyl)methyl]-5-methoxypyrazole-3-carboximidamide
CID 154338549
7-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]pyrimidin-4-yl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 118971847
methyl 3-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-3-oxopropanoate
CID 118962822
2-[3-(5-fluoro-4-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole
CID 145046968
5-cyclopropylimino-9-[1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]-4-methyl-2,6,8,10-tetrazatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-3-one
CID 166648401
methyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate
CID 68642360
3-[1-[(2-fluorophenyl)methyl]-3-[4-(sulfamoylamino)pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole;hydrochloride
CID 162324845
N'-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]propanediamide
CID 118233464

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]pyrimidin-4-amine (CID 118150396) is 2-[1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]pyrimidin-4-amine is COc1cc(-c2nccc(N)n2)nn1Cc1ccccc1F.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]pyrimidin-4-amine?
The InChIKey is ZLSQHIFPDKOGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c1-22-14-8-12(15-18-7-6-13(17)19-15)20-21(14)9-10-4-2-3-5-11(10)16/h2-8H,9H2,1H3,(H2,17,18,19).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]pyrimidin-4-amine?
2-[1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]pyrimidin-4-amine has a molecular weight of 299.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 118150396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).