(2S)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

C16H18F3N5O — CID 95740686

IUPAC(2S)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1ncc2c(n1)CCC[C@@H]2NC(=O)[C@H](C)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C16H18F3N5O/c1-9(24-7-6-14(23-24)16(17,18)19)15(25)22-13-5-3-4-12-11(13)8-20-10(2)21-12/h6-9,13H,3-5H2,1-2H3,(H,22,25)/t9-,13-/m0/s1
InChIKeyDRDAMJREFBFLOX-ZANVPECISA-N
MW353.35 g/mol
LogP2.76
Rot. Bonds3

About (2S)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

(2S)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 95740686) has the molecular formula C16H18F3N5O and a molecular weight of 353.35 g/mol. Its IUPAC name is (2S)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID95740686
Molecular FormulaC16H18F3N5O
Molecular Weight353.35 g/mol
Exact Mass353.15
IUPAC Name(2S)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1ncc2c(n1)CCC[C@@H]2NC(=O)[C@H](C)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C16H18F3N5O/c1-9(24-7-6-14(23-24)16(17,18)19)15(25)22-13-5-3-4-12-11(13)8-20-10(2)21-12/h6-9,13H,3-5H2,1-2H3,(H,22,25)/t9-,13-/m0/s1
InChIKeyDRDAMJREFBFLOX-ZANVPECISA-N
XLogP2.76
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(5-methylpyrazol-1-yl)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide
CID 95740693
2-(4-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 71689758
N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(tetrazol-1-yl)benzamide
CID 95740937
3-cyclopropyl-1-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-5-carboxamide
CID 71689682
N-cyclopentyl-2-(3-methylpyrazol-1-yl)propanamide
CID 19534188
N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-2-carboxamide
CID 95740668
N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]furan-2-carboxamide
CID 95740666
2-methyl-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]furan-3-carboxamide
CID 95740744
2-indol-1-yl-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 95740709
N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008486
1-ethyl-3-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-4-carboxamide
CID 95384990
2-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)quinoline-3-carboxamide
CID 71689676

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of (2S)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 95740686) is (2S)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for (2S)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for (2S)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is Cc1ncc2c(n1)CCC[C@@H]2NC(=O)[C@H](C)n1ccc(C(F)(F)F)n1.
What is the InChIKey of (2S)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is DRDAMJREFBFLOX-ZANVPECISA-N. The full InChI is InChI=1S/C16H18F3N5O/c1-9(24-7-6-14(23-24)16(17,18)19)15(25)22-13-5-3-4-12-11(13)8-20-10(2)21-12/h6-9,13H,3-5H2,1-2H3,(H,22,25)/t9-,13-/m0/s1.
What are the key properties of (2S)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
(2S)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 353.35 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 95740686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).