7-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

C11H12F3N5 — CID 136847606

IUPAC7-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCn1nccc1C1CCn2cc(C(F)(F)F)nc2N1
InChIInChI=1S/C11H12F3N5/c1-18-8(2-4-15-18)7-3-5-19-6-9(11(12,13)14)17-10(19)16-7/h2,4,6-7H,3,5H2,1H3,(H,16,17)
InChIKeyRBZZEVOOEJDPGH-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.19
Rot. Bonds1

About 7-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

7-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (PubChem CID 136847606) has the molecular formula C11H12F3N5 and a molecular weight of 271.25 g/mol. Its IUPAC name is 7-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
PubChem CID136847606
Molecular FormulaC11H12F3N5
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC Name7-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCn1nccc1C1CCn2cc(C(F)(F)F)nc2N1
InChIInChI=1S/C11H12F3N5/c1-18-8(2-4-15-18)7-3-5-19-6-9(11(12,13)14)17-10(19)16-7/h2,4,6-7H,3,5H2,1H3,(H,16,17)
InChIKeyRBZZEVOOEJDPGH-UHFFFAOYSA-N
XLogP2.19
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-ethyl-2-N-[3-methyl-1-[2-(2-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69092410
2-N-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72201490
4-N-ethyl-2-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093259
US9932325, Example 15
CID 69281631
4-N-methyl-2-N-[5-methyl-1-[2-(1-methylpyrazol-3-yl)propyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72190898
4-N-methyl-2-N-[5-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72191208
4-N-methyl-2-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72191509
2-N-[(4R)-4,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72201337
4-N-cyclopropyl-2-N-[(4S)-4,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72201338
4-N-cyclopropyl-2-N-[(4R)-4,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72201339
4-N-methyl-2-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72203468
2-N-[(4S)-4,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72203469

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The IUPAC name of 7-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (CID 136847606) is 7-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is Cn1nccc1C1CCn2cc(C(F)(F)F)nc2N1.
What is the InChIKey of 7-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The InChIKey is RBZZEVOOEJDPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5/c1-18-8(2-4-15-18)7-3-5-19-6-9(11(12,13)14)17-10(19)16-7/h2,4,6-7H,3,5H2,1H3,(H,16,17).
What are the key properties of 7-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
7-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine has a molecular weight of 271.25 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 136847606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).