N-(3-methylbutyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide

C16H22N4O — CID 20919224

IUPACN-(3-methylbutyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCC(C)CCNC(=O)c1cnn2c3c(cnc12)CCCC3
InChIInChI=1S/C16H22N4O/c1-11(2)7-8-17-16(21)13-10-19-20-14-6-4-3-5-12(14)9-18-15(13)20/h9-11H,3-8H2,1-2H3,(H,17,21)
InChIKeyIMDFVGVQQGXPDM-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.38
Rot. Bonds4

About N-(3-methylbutyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide

N-(3-methylbutyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide (PubChem CID 20919224) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(3-methylbutyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
PubChem CID20919224
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(3-methylbutyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCC(C)CCNC(=O)c1cnn2c3c(cnc12)CCCC3
InChIInChI=1S/C16H22N4O/c1-11(2)7-8-17-16(21)13-10-19-20-14-6-4-3-5-12(14)9-18-15(13)20/h9-11H,3-8H2,1-2H3,(H,17,21)
InChIKeyIMDFVGVQQGXPDM-UHFFFAOYSA-N
XLogP2.38
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The IUPAC name of N-(3-methylbutyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide (CID 20919224) is N-(3-methylbutyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide is CC(C)CCNC(=O)c1cnn2c3c(cnc12)CCCC3.
What is the InChIKey of N-(3-methylbutyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The InChIKey is IMDFVGVQQGXPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11(2)7-8-17-16(21)13-10-19-20-14-6-4-3-5-12(14)9-18-15(13)20/h9-11H,3-8H2,1-2H3,(H,17,21).
What are the key properties of N-(3-methylbutyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
N-(3-methylbutyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 20919224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).