1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)urea

C16H21FN6O — CID 138022798

IUPAC1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)urea
SMILESCc1ncc2c(n1)CCCC2NC(=O)NCc1cnn(CCF)c1
InChIInChI=1S/C16H21FN6O/c1-11-18-9-13-14(21-11)3-2-4-15(13)22-16(24)19-7-12-8-20-23(10-12)6-5-17/h8-10,15H,2-7H2,1H3,(H2,19,22,24)
InChIKeyMISBYIRUYLZHGO-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.83
Rot. Bonds5

About 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)urea

1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)urea (PubChem CID 138022798) has the molecular formula C16H21FN6O and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)urea.

Molecular Properties

Compound Name1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)urea
PubChem CID138022798
Molecular FormulaC16H21FN6O
Molecular Weight332.38 g/mol
Exact Mass332.18
IUPAC Name1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)urea
SMILESCc1ncc2c(n1)CCCC2NC(=O)NCc1cnn(CCF)c1
InChIInChI=1S/C16H21FN6O/c1-11-18-9-13-14(21-11)3-2-4-15(13)22-16(24)19-7-12-8-20-23(10-12)6-5-17/h8-10,15H,2-7H2,1H3,(H2,19,22,24)
InChIKeyMISBYIRUYLZHGO-UHFFFAOYSA-N
XLogP1.83
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)urea 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

2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine
CID 91800715
N-(3-Methylbutyl)-6H,7H,8H,9H-pyrazolo[1,5-A]quinazoline-3-carboxamide
CID 20919224
N-(2-tert-butyl-7,7-dimethyl-5,6,7,8-tetrahydroquinazolin-5-yl)-2-(1H-tetrazol-5-yl)acetamide
CID 72862527
N-cyclopentyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 20919213
N-(propan-2-yl)-6H,7H,8H,9H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 20919220
N-cyclohexyl-5-[(1S)-1-[(1-ethylpyrazol-4-yl)methylamino]ethyl]-N,4-dimethylpyrimidin-2-amine
CID 42566306
N-[2-(dimethylamino)-5,6,7,8-tetrahydro-5-quinazolinyl]propanamide
CID 45227832
N-[cis-3-(2-methyl-6-{methyl[2-(1-methyl-1H-pyrazol-4-yl)ethyl]amino}pyrimidin-4-yl)cyclobutyl]acetamide
CID 91787435
1-[(1S)-1-(5-bromopyrimidin-2-yl)ethyl]-3-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]urea
CID 164630339
(4R,5S)-4-[[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 164630473
N-[(2S)-5-(5-amino-1,3-dimethylpyrazol-4-yl)pentan-2-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine
CID 170591923
4,6-Dimethyl-14-(trifluoromethyl)-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene
CID 170591954

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)urea?
The IUPAC name of 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)urea (CID 138022798) is 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)urea.
What is the SMILES notation for 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)urea?
The canonical SMILES for 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)urea is Cc1ncc2c(n1)CCCC2NC(=O)NCc1cnn(CCF)c1.
What is the InChIKey of 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)urea?
The InChIKey is MISBYIRUYLZHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN6O/c1-11-18-9-13-14(21-11)3-2-4-15(13)22-16(24)19-7-12-8-20-23(10-12)6-5-17/h8-10,15H,2-7H2,1H3,(H2,19,22,24).
What are the key properties of 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)urea?
1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)urea has a molecular weight of 332.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)urea is sourced from PubChem (CID 138022798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).