2-methyl-4-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline

C18H22F3N5 — CID 133450748

IUPAC2-methyl-4-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
SMILESCc1nc2c(c(N3CCCC(n4ccc(C(F)(F)F)n4)C3)n1)CCCC2
InChIInChI=1S/C18H22F3N5/c1-12-22-15-7-3-2-6-14(15)17(23-12)25-9-4-5-13(11-25)26-10-8-16(24-26)18(19,20)21/h8,10,13H,2-7,9,11H2,1H3
InChIKeyGDDRENFJZLTSCO-UHFFFAOYSA-N
MW365.40 g/mol
LogP3.72
Rot. Bonds2

About 2-methyl-4-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline

2-methyl-4-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline (PubChem CID 133450748) has the molecular formula C18H22F3N5 and a molecular weight of 365.40 g/mol. Its IUPAC name is 2-methyl-4-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name2-methyl-4-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
PubChem CID133450748
Molecular FormulaC18H22F3N5
Molecular Weight365.40 g/mol
Exact Mass365.18
IUPAC Name2-methyl-4-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
SMILESCc1nc2c(c(N3CCCC(n4ccc(C(F)(F)F)n4)C3)n1)CCCC2
InChIInChI=1S/C18H22F3N5/c1-12-22-15-7-3-2-6-14(15)17(23-12)25-9-4-5-13(11-25)26-10-8-16(24-26)18(19,20)21/h8,10,13H,2-7,9,11H2,1H3
InChIKeyGDDRENFJZLTSCO-UHFFFAOYSA-N
XLogP3.72
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-(trifluoromethyl)-7-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133450935
2-methyl-4-[3-(4-methylpiperazin-1-yl)azepan-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133461921
2-methyl-4-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 124885661
2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133461386
4-chloro-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-2-amine
CID 133450762
3-phenyl-5-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2,4-thiadiazole
CID 133450761
1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylic acid
CID 102549336
N-[2-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]propan-2-amine
CID 99838934
(4R)-N,N-dimethyl-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)azepan-4-amine
CID 124744132
(4-fluorophenyl)-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]methanone
CID 133461027
1-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine
CID 133450828
1-chloro-3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]isoquinoline
CID 133450902

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 2-methyl-4-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline (CID 133450748) is 2-methyl-4-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 2-methyl-4-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 2-methyl-4-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline is Cc1nc2c(c(N3CCCC(n4ccc(C(F)(F)F)n4)C3)n1)CCCC2.
What is the InChIKey of 2-methyl-4-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline?
The InChIKey is GDDRENFJZLTSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5/c1-12-22-15-7-3-2-6-14(15)17(23-12)25-9-4-5-13(11-25)26-10-8-16(24-26)18(19,20)21/h8,10,13H,2-7,9,11H2,1H3.
What are the key properties of 2-methyl-4-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline?
2-methyl-4-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline has a molecular weight of 365.40 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 133450748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).