N-propan-2-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide

C14H22N4O — CID 136837931

IUPACN-propan-2-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCC(C)NC(=O)c1cnn2c1NCC1CCCCC12
InChIInChI=1S/C14H22N4O/c1-9(2)17-14(19)11-8-16-18-12-6-4-3-5-10(12)7-15-13(11)18/h8-10,12,15H,3-7H2,1-2H3,(H,17,19)
InChIKeyBQFRMFAYFBVLGO-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.18
Rot. Bonds2

About N-propan-2-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide

N-propan-2-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide (PubChem CID 136837931) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-propan-2-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide
PubChem CID136837931
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-propan-2-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCC(C)NC(=O)c1cnn2c1NCC1CCCCC12
InChIInChI=1S/C14H22N4O/c1-9(2)17-14(19)11-8-16-18-12-6-4-3-5-10(12)7-15-13(11)18/h8-10,12,15H,3-7H2,1-2H3,(H,17,19)
InChIKeyBQFRMFAYFBVLGO-UHFFFAOYSA-N
XLogP2.18
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 136839544
7-(aminomethyl)-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137011941
5-methyl-N-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136837911
(5S,7S)-5-(4-bromophenyl)-N-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1013662
1-cyclopentyl-N-(1-cyclopentylethyl)-5-methylpyrazole-4-carboxamide
CID 126786160
7-methyl-N-propan-2-yl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 20919261
2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 84574880
7-(dimethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136839551
N-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 115599234
N-(1-aminoethyl)-2-[4-(cyclohexylamino)piperidin-1-yl]-5-cyclopropylpyridine-3-carboxamide
CID 123519804
1-cyclopentyl-5-methyl-N-(2-methylsulfonyl-1-phenylethyl)pyrazole-4-carboxamide
CID 126795413
4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazoline-2-carboxamide
CID 136839195

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The IUPAC name of N-propan-2-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide (CID 136837931) is N-propan-2-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The canonical SMILES for N-propan-2-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide is CC(C)NC(=O)c1cnn2c1NCC1CCCCC12.
What is the InChIKey of N-propan-2-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The InChIKey is BQFRMFAYFBVLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-9(2)17-14(19)11-8-16-18-12-6-4-3-5-10(12)7-15-13(11)18/h8-10,12,15H,3-7H2,1-2H3,(H,17,19).
What are the key properties of N-propan-2-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
N-propan-2-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 136837931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).