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

C15H20N4O — CID 20919211

IUPACN-butan-2-yl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCCC(C)NC(=O)c1cnn2c3c(cnc12)CCCC3
InChIInChI=1S/C15H20N4O/c1-3-10(2)18-15(20)12-9-17-19-13-7-5-4-6-11(13)8-16-14(12)19/h8-10H,3-7H2,1-2H3,(H,18,20)
InChIKeyMIPOKDBQZPIDLQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.14
Rot. Bonds3

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

N-butan-2-yl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide (PubChem CID 20919211) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-butan-2-yl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
PubChem CID20919211
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-butan-2-yl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCCC(C)NC(=O)c1cnn2c3c(cnc12)CCCC3
InChIInChI=1S/C15H20N4O/c1-3-10(2)18-15(20)12-9-17-19-13-7-5-4-6-11(13)8-16-14(12)19/h8-10H,3-7H2,1-2H3,(H,18,20)
InChIKeyMIPOKDBQZPIDLQ-UHFFFAOYSA-N
XLogP2.14
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 969631
5-cyclopropyl-7-(difluoromethyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1256693
5,7-Dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid benzylamide
CID 755926
N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097821
5,7-Dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid phenethyl-amide
CID 1097838
N-cyclopentyl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide
CID 3239194
N-(sec-butyl)-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide
CID 3244790
5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097803
5,7-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440633
N-(4-tert-butylcyclohexyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46907761
N-cyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4769220
N-cyclopropyl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide
CID 3245570

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The IUPAC name of N-butan-2-yl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide (CID 20919211) is N-butan-2-yl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The canonical SMILES for N-butan-2-yl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide is CCC(C)NC(=O)c1cnn2c3c(cnc12)CCCC3.
What is the InChIKey of N-butan-2-yl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The InChIKey is MIPOKDBQZPIDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-10(2)18-15(20)12-9-17-19-13-7-5-4-6-11(13)8-16-14(12)19/h8-10H,3-7H2,1-2H3,(H,18,20).
What are the key properties of N-butan-2-yl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
N-butan-2-yl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 20919211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).