N-propan-2-yl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide

C14H18N4O — CID 20919220

IUPACN-propan-2-yl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCC(C)NC(=O)c1cnn2c3c(cnc12)CCCC3
InChIInChI=1S/C14H18N4O/c1-9(2)17-14(19)11-8-16-18-12-6-4-3-5-10(12)7-15-13(11)18/h7-9H,3-6H2,1-2H3,(H,17,19)
InChIKeyXETWENXJDNFLIR-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.75
Rot. Bonds2

About N-propan-2-yl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide

N-propan-2-yl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide (PubChem CID 20919220) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-propan-2-yl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
PubChem CID20919220
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-propan-2-yl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCC(C)NC(=O)c1cnn2c3c(cnc12)CCCC3
InChIInChI=1S/C14H18N4O/c1-9(2)17-14(19)11-8-16-18-12-6-4-3-5-10(12)7-15-13(11)18/h7-9H,3-6H2,1-2H3,(H,17,19)
InChIKeyXETWENXJDNFLIR-UHFFFAOYSA-N
XLogP1.75
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The IUPAC name of N-propan-2-yl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide (CID 20919220) is N-propan-2-yl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The canonical SMILES for N-propan-2-yl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide is CC(C)NC(=O)c1cnn2c3c(cnc12)CCCC3.
What is the InChIKey of N-propan-2-yl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The InChIKey is XETWENXJDNFLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9(2)17-14(19)11-8-16-18-12-6-4-3-5-10(12)7-15-13(11)18/h7-9H,3-6H2,1-2H3,(H,17,19).
What are the key properties of N-propan-2-yl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
N-propan-2-yl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 20919220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).