N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-5-methyl-1H-pyrazole-3-carboxamide

C19H27N5O — CID 72852170

IUPACN-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)n[nH]1
InChIInChI=1S/C19H27N5O/c1-11-7-13(24-23-11)16(25)21-14-8-19(5,6)9-15-12(14)10-20-17(22-15)18(2,3)4/h7,10,14H,8-9H2,1-6H3,(H,21,25)(H,23,24)
InChIKeyCVORPAHIFXRCEJ-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.25
Rot. Bonds2

About N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-5-methyl-1H-pyrazole-3-carboxamide

N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 72852170) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID72852170
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)n[nH]1
InChIInChI=1S/C19H27N5O/c1-11-7-13(24-23-11)16(25)21-14-8-19(5,6)9-15-12(14)10-20-17(22-15)18(2,3)4/h7,10,14H,8-9H2,1-6H3,(H,21,25)(H,23,24)
InChIKeyCVORPAHIFXRCEJ-UHFFFAOYSA-N
XLogP3.25
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-5-methyl-1H-pyrazole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-5-methyl-1H-pyrazole-3-carboxamide (CID 72852170) is N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NC2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)n[nH]1.
What is the InChIKey of N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is CVORPAHIFXRCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-11-7-13(24-23-11)16(25)21-14-8-19(5,6)9-15-12(14)10-20-17(22-15)18(2,3)4/h7,10,14H,8-9H2,1-6H3,(H,21,25)(H,23,24).
What are the key properties of N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-5-methyl-1H-pyrazole-3-carboxamide?
N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 72852170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).