2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methylquinazoline

C15H15N5O2 — CID 31808029

IUPAC2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methylquinazoline
SMILESCc1nn(Cc2nc(C)c3ccccc3n2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C15H15N5O2/c1-9-12-6-4-5-7-13(12)17-14(16-9)8-19-11(3)15(20(21)22)10(2)18-19/h4-7H,8H2,1-3H3
InChIKeyXQBSMCHFESSRTD-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.71
Rot. Bonds3

About 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methylquinazoline

2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methylquinazoline (PubChem CID 31808029) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methylquinazoline.

Molecular Properties

Compound Name2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methylquinazoline
PubChem CID31808029
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methylquinazoline
SMILESCc1nn(Cc2nc(C)c3ccccc3n2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C15H15N5O2/c1-9-12-6-4-5-7-13(12)17-14(16-9)8-19-11(3)15(20(21)22)10(2)18-19/h4-7H,8H2,1-3H3
InChIKeyXQBSMCHFESSRTD-UHFFFAOYSA-N
XLogP2.71
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methylquinazoline 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-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-3-methylquinazolin-4-one
CID 35418570
3,5-dimethyl-4-nitro-1-[(4-phenylphenyl)methyl]pyrazole
CID 9453009
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 17022275
2-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 17023252
2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoate
CID 7015130
(1S)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-phenylethanol
CID 40808608
3-chloro-6-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridazine
CID 104513882
2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-5-phenyl-1,3-oxazole
CID 4786122
3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]aniline
CID 113274124
2-chloro-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridine
CID 55075456
1-ethyl-3,5-dimethyl-4-nitropyrazole
CID 3546708
5-tert-butyl-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole
CID 46575388

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methylquinazoline?
The IUPAC name of 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methylquinazoline (CID 31808029) is 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methylquinazoline.
What is the SMILES notation for 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methylquinazoline?
The canonical SMILES for 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methylquinazoline is Cc1nn(Cc2nc(C)c3ccccc3n2)c(C)c1[N+](=O)[O-].
What is the InChIKey of 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methylquinazoline?
The InChIKey is XQBSMCHFESSRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-9-12-6-4-5-7-13(12)17-14(16-9)8-19-11(3)15(20(21)22)10(2)18-19/h4-7H,8H2,1-3H3.
What are the key properties of 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methylquinazoline?
2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methylquinazoline has a molecular weight of 297.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methylquinazoline is sourced from PubChem (CID 31808029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).