2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline

C12H11F3N4 — CID 56712272

IUPAC2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
SMILESFC(F)(F)c1nc(-c2ccn[nH]2)nc2c1CCCC2
InChIInChI=1S/C12H11F3N4/c13-12(14,15)10-7-3-1-2-4-8(7)17-11(18-10)9-5-6-16-19-9/h5-6H,1-4H2,(H,16,19)
InChIKeyXRSVTGAVGYCOKJ-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.76
Rot. Bonds1

About 2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline

2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline (PubChem CID 56712272) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
PubChem CID56712272
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
SMILESFC(F)(F)c1nc(-c2ccn[nH]2)nc2c1CCCC2
InChIInChI=1S/C12H11F3N4/c13-12(14,15)10-7-3-1-2-4-8(7)17-11(18-10)9-5-6-16-19-9/h5-6H,1-4H2,(H,16,19)
InChIKeyXRSVTGAVGYCOKJ-UHFFFAOYSA-N
XLogP2.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 17382095
pyrrolidin-1-yl-[3-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]methanone
CID 122558076
2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetic acid
CID 170886771
4-bromo-N-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]benzenesulfonamide
CID 3681735
2-(4-fluorophenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737950
2-(2-methylphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737929
2-(4-bromophenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737933
5-methyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrazol-3-amine
CID 82192549
N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]benzamide
CID 71797102
2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737994
2-(2-bromophenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737900
1-[[4-methoxy-3-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]methyl]pyrrolidin-3-ol
CID 170510986

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline (CID 56712272) is 2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline is FC(F)(F)c1nc(-c2ccn[nH]2)nc2c1CCCC2.
What is the InChIKey of 2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
The InChIKey is XRSVTGAVGYCOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4/c13-12(14,15)10-7-3-1-2-4-8(7)17-11(18-10)9-5-6-16-19-9/h5-6H,1-4H2,(H,16,19).
What are the key properties of 2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline has a molecular weight of 268.24 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 56712272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).