[(4R)-4-aminoazepan-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone

C15H26N4O — CID 95721521

IUPAC[(4R)-4-aminoazepan-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H](N)CC1
InChIInChI=1S/C15H26N4O/c1-4-19-14(10-13(17-19)11(2)3)15(20)18-8-5-6-12(16)7-9-18/h10-12H,4-9,16H2,1-3H3/t12-/m1/s1
InChIKeyQOCVLXDEQLXEPM-GFCCVEGCSA-N
MW278.40 g/mol
LogP1.98
Rot. Bonds3

About [(4R)-4-aminoazepan-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone

[(4R)-4-aminoazepan-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone (PubChem CID 95721521) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is [(4R)-4-aminoazepan-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(4R)-4-aminoazepan-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
PubChem CID95721521
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name[(4R)-4-aminoazepan-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H](N)CC1
InChIInChI=1S/C15H26N4O/c1-4-19-14(10-13(17-19)11(2)3)15(20)18-8-5-6-12(16)7-9-18/h10-12H,4-9,16H2,1-3H3/t12-/m1/s1
InChIKeyQOCVLXDEQLXEPM-GFCCVEGCSA-N
XLogP1.98
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dihydroxypyrrolidin-1-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 106671806
(3-aminopiperidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 66121216
1-[4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-1,4-diazepan-1-yl]-2-methoxyethanone
CID 70747110
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875316
[(3R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 125161347
(2R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922034
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 125019919
1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63722049
(3-amino-1-ethylpyrazol-5-yl)-(azepan-1-yl)methanone
CID 117218466
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 72894495
[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 97278374
1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 78086838

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-aminoazepan-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone?
The IUPAC name of [(4R)-4-aminoazepan-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone (CID 95721521) is [(4R)-4-aminoazepan-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone.
What is the SMILES notation for [(4R)-4-aminoazepan-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone?
The canonical SMILES for [(4R)-4-aminoazepan-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone is CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H](N)CC1.
What is the InChIKey of [(4R)-4-aminoazepan-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone?
The InChIKey is QOCVLXDEQLXEPM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-19-14(10-13(17-19)11(2)3)15(20)18-8-5-6-12(16)7-9-18/h10-12H,4-9,16H2,1-3H3/t12-/m1/s1.
What are the key properties of [(4R)-4-aminoazepan-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone?
[(4R)-4-aminoazepan-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone has a molecular weight of 278.40 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-aminoazepan-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 95721521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).