(3-amino-1-ethylpyrazol-5-yl)-(azepan-1-yl)methanone

C12H20N4O — CID 117218466

IUPAC(3-amino-1-ethylpyrazol-5-yl)-(azepan-1-yl)methanone
SMILESCCn1nc(N)cc1C(=O)N1CCCCCC1
InChIInChI=1S/C12H20N4O/c1-2-16-10(9-11(13)14-16)12(17)15-7-5-3-4-6-8-15/h9H,2-8H2,1H3,(H2,13,14)
InChIKeySSDIZIOCLCGMBL-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.50
Rot. Bonds2

About (3-amino-1-ethylpyrazol-5-yl)-(azepan-1-yl)methanone

(3-amino-1-ethylpyrazol-5-yl)-(azepan-1-yl)methanone (PubChem CID 117218466) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (3-amino-1-ethylpyrazol-5-yl)-(azepan-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-1-ethylpyrazol-5-yl)-(azepan-1-yl)methanone
PubChem CID117218466
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(3-amino-1-ethylpyrazol-5-yl)-(azepan-1-yl)methanone
SMILESCCn1nc(N)cc1C(=O)N1CCCCCC1
InChIInChI=1S/C12H20N4O/c1-2-16-10(9-11(13)14-16)12(17)15-7-5-3-4-6-8-15/h9H,2-8H2,1H3,(H2,13,14)
InChIKeySSDIZIOCLCGMBL-UHFFFAOYSA-N
XLogP1.50
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-(1,3-diethylpyrazol-5-yl)methanone
CID 66120416
aziridin-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 127002241
ethyl (3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
CID 81338249
[(4R)-4-aminoazepan-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 95721521
3-amino-N-butan-2-yl-1-ethylpyrazole-5-carboxamide
CID 122171294
(3R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carboxamide
CID 97136755
(3-aminopiperidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 66121216
1-(1,3-diethylpyrazole-5-carbonyl)piperidin-4-one
CID 66121196
1-(2-ethyl-5-methylpyrazole-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77113272
[4-(2-aminoethyl)piperazin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 66128659
1-[4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-1,4-diazepan-1-yl]-2-methoxyethanone
CID 70747110
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 107159927

Frequently Asked Questions

What is the IUPAC name of (3-amino-1-ethylpyrazol-5-yl)-(azepan-1-yl)methanone?
The IUPAC name of (3-amino-1-ethylpyrazol-5-yl)-(azepan-1-yl)methanone (CID 117218466) is (3-amino-1-ethylpyrazol-5-yl)-(azepan-1-yl)methanone.
What is the SMILES notation for (3-amino-1-ethylpyrazol-5-yl)-(azepan-1-yl)methanone?
The canonical SMILES for (3-amino-1-ethylpyrazol-5-yl)-(azepan-1-yl)methanone is CCn1nc(N)cc1C(=O)N1CCCCCC1.
What is the InChIKey of (3-amino-1-ethylpyrazol-5-yl)-(azepan-1-yl)methanone?
The InChIKey is SSDIZIOCLCGMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-16-10(9-11(13)14-16)12(17)15-7-5-3-4-6-8-15/h9H,2-8H2,1H3,(H2,13,14).
What are the key properties of (3-amino-1-ethylpyrazol-5-yl)-(azepan-1-yl)methanone?
(3-amino-1-ethylpyrazol-5-yl)-(azepan-1-yl)methanone has a molecular weight of 236.32 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-ethylpyrazol-5-yl)-(azepan-1-yl)methanone is sourced from PubChem (CID 117218466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).