2-[3-methyl-5-(pyridin-2-ylamino)pyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one

C14H11F3N6O — CID 162672441

IUPAC2-[3-methyl-5-(pyridin-2-ylamino)pyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1cc(Nc2ccccn2)n(-c2nc(C(F)(F)F)cc(=O)[nH]2)n1
InChIInChI=1S/C14H11F3N6O/c1-8-6-11(20-10-4-2-3-5-18-10)23(22-8)13-19-9(14(15,16)17)7-12(24)21-13/h2-7H,1H3,(H,18,20)(H,19,21,24)
InChIKeyABYBXRQTMHPPLH-UHFFFAOYSA-N
MW336.28 g/mol
LogP2.42
Rot. Bonds3

About 2-[3-methyl-5-(pyridin-2-ylamino)pyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-[3-methyl-5-(pyridin-2-ylamino)pyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 162672441) has the molecular formula C14H11F3N6O and a molecular weight of 336.28 g/mol. Its IUPAC name is 2-[3-methyl-5-(pyridin-2-ylamino)pyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[3-methyl-5-(pyridin-2-ylamino)pyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID162672441
Molecular FormulaC14H11F3N6O
Molecular Weight336.28 g/mol
Exact Mass336.09
IUPAC Name2-[3-methyl-5-(pyridin-2-ylamino)pyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1cc(Nc2ccccn2)n(-c2nc(C(F)(F)F)cc(=O)[nH]2)n1
InChIInChI=1S/C14H11F3N6O/c1-8-6-11(20-10-4-2-3-5-18-10)23(22-8)13-19-9(14(15,16)17)7-12(24)21-13/h2-7H,1H3,(H,18,20)(H,19,21,24)
InChIKeyABYBXRQTMHPPLH-UHFFFAOYSA-N
XLogP2.42
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-(pyridin-2-ylamino)pyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[3-methyl-5-(pyridin-2-ylamino)pyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 162672441) is 2-[3-methyl-5-(pyridin-2-ylamino)pyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[3-methyl-5-(pyridin-2-ylamino)pyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[3-methyl-5-(pyridin-2-ylamino)pyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one is Cc1cc(Nc2ccccn2)n(-c2nc(C(F)(F)F)cc(=O)[nH]2)n1.
What is the InChIKey of 2-[3-methyl-5-(pyridin-2-ylamino)pyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is ABYBXRQTMHPPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N6O/c1-8-6-11(20-10-4-2-3-5-18-10)23(22-8)13-19-9(14(15,16)17)7-12(24)21-13/h2-7H,1H3,(H,18,20)(H,19,21,24).
What are the key properties of 2-[3-methyl-5-(pyridin-2-ylamino)pyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-[3-methyl-5-(pyridin-2-ylamino)pyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 336.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-(pyridin-2-ylamino)pyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 162672441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).