2-[5-(2-hydroxyethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one

C11H12F3N5O2 — CID 162659678

IUPAC2-[5-(2-hydroxyethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1cc(NCCO)n(-c2nc(C(F)(F)F)cc(=O)[nH]2)n1
InChIInChI=1S/C11H12F3N5O2/c1-6-4-8(15-2-3-20)19(18-6)10-16-7(11(12,13)14)5-9(21)17-10/h4-5,15,20H,2-3H2,1H3,(H,16,17,21)
InChIKeyUVPYAJQLLTZQQC-UHFFFAOYSA-N
MW303.24 g/mol
LogP0.69
Rot. Bonds4

About 2-[5-(2-hydroxyethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-[5-(2-hydroxyethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 162659678) has the molecular formula C11H12F3N5O2 and a molecular weight of 303.24 g/mol. Its IUPAC name is 2-[5-(2-hydroxyethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[5-(2-hydroxyethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID162659678
Molecular FormulaC11H12F3N5O2
Molecular Weight303.24 g/mol
Exact Mass303.09
IUPAC Name2-[5-(2-hydroxyethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1cc(NCCO)n(-c2nc(C(F)(F)F)cc(=O)[nH]2)n1
InChIInChI=1S/C11H12F3N5O2/c1-6-4-8(15-2-3-20)19(18-6)10-16-7(11(12,13)14)5-9(21)17-10/h4-5,15,20H,2-3H2,1H3,(H,16,17,21)
InChIKeyUVPYAJQLLTZQQC-UHFFFAOYSA-N
XLogP0.69
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-methyl-3,4-dihydropyrimidin-4-one
CID 135778888
2-[5-(2-methoxyethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162669511
2-[3-methyl-5-(oxan-4-ylamino)pyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162674085
2-[5-(ethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162676141
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)acetamide
CID 135753026
1-(2,5-Dimethylpyrazol-3-yl)-3-(2-hydroxypropyl)urea
CID 47198265
2-(5-Amino-3-methyl-1H-pyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 162645359
2-[5-[2-(dimethylamino)ethylamino]-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162672135
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)acetamide
CID 135551466
N-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)acetamide
CID 135752887
2-ethoxy-N-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)acetamide
CID 135752908
1-Butyl-3-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]urea
CID 47079358

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-hydroxyethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[5-(2-hydroxyethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 162659678) is 2-[5-(2-hydroxyethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[5-(2-hydroxyethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[5-(2-hydroxyethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one is Cc1cc(NCCO)n(-c2nc(C(F)(F)F)cc(=O)[nH]2)n1.
What is the InChIKey of 2-[5-(2-hydroxyethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is UVPYAJQLLTZQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O2/c1-6-4-8(15-2-3-20)19(18-6)10-16-7(11(12,13)14)5-9(21)17-10/h4-5,15,20H,2-3H2,1H3,(H,16,17,21).
What are the key properties of 2-[5-(2-hydroxyethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-[5-(2-hydroxyethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 303.24 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-hydroxyethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 162659678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).