5-methyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrazol-3-amine

C13H14F3N5 — CID 82192549

IUPAC5-methyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrazol-3-amine
SMILESCc1cc(N)n(-c2nc3c(c(C(F)(F)F)n2)CCCC3)n1
InChIInChI=1S/C13H14F3N5/c1-7-6-10(17)21(20-7)12-18-9-5-3-2-4-8(9)11(19-12)13(14,15)16/h6H,2-5,17H2,1H3
InChIKeyYNMPRRLMGNOAPR-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.45
Rot. Bonds1

About 5-methyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrazol-3-amine

5-methyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrazol-3-amine (PubChem CID 82192549) has the molecular formula C13H14F3N5 and a molecular weight of 297.28 g/mol. Its IUPAC name is 5-methyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrazol-3-amine
PubChem CID82192549
Molecular FormulaC13H14F3N5
Molecular Weight297.28 g/mol
Exact Mass297.12
IUPAC Name5-methyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrazol-3-amine
SMILESCc1cc(N)n(-c2nc3c(c(C(F)(F)F)n2)CCCC3)n1
InChIInChI=1S/C13H14F3N5/c1-7-6-10(17)21(20-7)12-18-9-5-3-2-4-8(9)11(19-12)13(14,15)16/h6H,2-5,17H2,1H3
InChIKeyYNMPRRLMGNOAPR-UHFFFAOYSA-N
XLogP2.45
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azepan-1-yl)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 17382095
1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]azepan-4-amine
CID 56902333
1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-amine
CID 82192137
N-[(3aS,5R,6R,7aR)-6-hydroxy-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]acetamide
CID 172667393
[(1S,2S,4R)-2-ethyl-7-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]-7-azabicyclo[2.2.1]heptan-2-yl]methanol
CID 165421513
1-(5-fluoro-2-methylphenyl)-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]urea
CID 22156175
4,6-bis(5-amino-3-methylpyrazol-1-yl)-1H-1,3,5-triazin-2-one;hydrochloride
CID 136657454
2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
CID 56712272
3-cyclopropyl-4-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 146617411
2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetic acid
CID 170886771
4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydroquinazoline
CID 94674661
1-(2-methyl-6-nitrophenyl)-1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]urea
CID 22156144

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrazol-3-amine?
The IUPAC name of 5-methyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrazol-3-amine (CID 82192549) is 5-methyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrazol-3-amine.
What is the SMILES notation for 5-methyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrazol-3-amine?
The canonical SMILES for 5-methyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrazol-3-amine is Cc1cc(N)n(-c2nc3c(c(C(F)(F)F)n2)CCCC3)n1.
What is the InChIKey of 5-methyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrazol-3-amine?
The InChIKey is YNMPRRLMGNOAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5/c1-7-6-10(17)21(20-7)12-18-9-5-3-2-4-8(9)11(19-12)13(14,15)16/h6H,2-5,17H2,1H3.
What are the key properties of 5-methyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrazol-3-amine?
5-methyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrazol-3-amine has a molecular weight of 297.28 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrazol-3-amine is sourced from PubChem (CID 82192549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).