1-propan-2-yl-5,6,7,8-tetrahydropyrazolo[4,5-c]azepin-4-one

C10H15N3O — CID 155175833

IUPAC1-propan-2-yl-5,6,7,8-tetrahydropyrazolo[4,5-c]azepin-4-one
SMILESCC(C)n1ncc2c1CCCNC2=O
InChIInChI=1S/C10H15N3O/c1-7(2)13-9-4-3-5-11-10(14)8(9)6-12-13/h6-7H,3-5H2,1-2H3,(H,11,14)
InChIKeyPBYFPVAOTCIXPT-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.14
Rot. Bonds1

About 1-propan-2-yl-5,6,7,8-tetrahydropyrazolo[4,5-c]azepin-4-one

1-propan-2-yl-5,6,7,8-tetrahydropyrazolo[4,5-c]azepin-4-one (PubChem CID 155175833) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-propan-2-yl-5,6,7,8-tetrahydropyrazolo[4,5-c]azepin-4-one.

Molecular Properties

Compound Name1-propan-2-yl-5,6,7,8-tetrahydropyrazolo[4,5-c]azepin-4-one
PubChem CID155175833
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-propan-2-yl-5,6,7,8-tetrahydropyrazolo[4,5-c]azepin-4-one
SMILESCC(C)n1ncc2c1CCCNC2=O
InChIInChI=1S/C10H15N3O/c1-7(2)13-9-4-3-5-11-10(14)8(9)6-12-13/h6-7H,3-5H2,1-2H3,(H,11,14)
InChIKeyPBYFPVAOTCIXPT-UHFFFAOYSA-N
XLogP1.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepin-4-one
CID 83679452
1-[4-(1-Tert-butyl-5-ethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 56817790
N-[2-(dimethylamino)ethyl]-1-methyl-5-propan-2-ylpyrazole-4-carboxamide
CID 42669803
N-Ethyl-1-methyl-5-(propan-2-YL)-1H-pyrazole-4-carboxamide
CID 42669806
1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide
CID 42669808
1-tert-butyl-N,5-diethyl-1H-pyrazole-4-carboxamide
CID 42669810
N-cyclopropyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide
CID 42818255
1-ethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-3-propan-2-ylpyrazole-4-carboxamide
CID 96327793
[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 99777070
1-(3-methylbutyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 119047350
N-[(1R,2S)-2-cyclohexylcyclopropyl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide
CID 137985126
5-cyclopropyl-N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 138035097

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5,6,7,8-tetrahydropyrazolo[4,5-c]azepin-4-one?
The IUPAC name of 1-propan-2-yl-5,6,7,8-tetrahydropyrazolo[4,5-c]azepin-4-one (CID 155175833) is 1-propan-2-yl-5,6,7,8-tetrahydropyrazolo[4,5-c]azepin-4-one.
What is the SMILES notation for 1-propan-2-yl-5,6,7,8-tetrahydropyrazolo[4,5-c]azepin-4-one?
The canonical SMILES for 1-propan-2-yl-5,6,7,8-tetrahydropyrazolo[4,5-c]azepin-4-one is CC(C)n1ncc2c1CCCNC2=O.
What is the InChIKey of 1-propan-2-yl-5,6,7,8-tetrahydropyrazolo[4,5-c]azepin-4-one?
The InChIKey is PBYFPVAOTCIXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(2)13-9-4-3-5-11-10(14)8(9)6-12-13/h6-7H,3-5H2,1-2H3,(H,11,14).
What are the key properties of 1-propan-2-yl-5,6,7,8-tetrahydropyrazolo[4,5-c]azepin-4-one?
1-propan-2-yl-5,6,7,8-tetrahydropyrazolo[4,5-c]azepin-4-one has a molecular weight of 193.25 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5,6,7,8-tetrahydropyrazolo[4,5-c]azepin-4-one is sourced from PubChem (CID 155175833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).