2-(azepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C15H26N4O — CID 42913354

IUPAC2-(azepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C(=O)Nc1ccnn1C(C)C)N1CCCCCC1
InChIInChI=1S/C15H26N4O/c1-12(2)19-14(8-9-16-19)17-15(20)13(3)18-10-6-4-5-7-11-18/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,17,20)
InChIKeyXKCDUOSOLFONPA-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.67
Rot. Bonds4

About 2-(azepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide

2-(azepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 42913354) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID42913354
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-(azepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C(=O)Nc1ccnn1C(C)C)N1CCCCCC1
InChIInChI=1S/C15H26N4O/c1-12(2)19-14(8-9-16-19)17-15(20)13(3)18-10-6-4-5-7-11-18/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,17,20)
InChIKeyXKCDUOSOLFONPA-UHFFFAOYSA-N
XLogP2.67
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2R)-2-methylmorpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 98716581
(2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 100836726
2-piperidin-1-yl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18155912
(2S)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 95750293
(2S)-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 124778984
(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 37078163
1-cyclohexyl-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 47103204
(2R)-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 95612682
(3aS,6aR)-2-[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120680093
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 46571508
(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 94896765
3-methoxy-N-[1-[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]piperidin-4-yl]benzamide
CID 51943124

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of 2-(azepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 42913354) is 2-(azepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide is CC(C(=O)Nc1ccnn1C(C)C)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is XKCDUOSOLFONPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12(2)19-14(8-9-16-19)17-15(20)13(3)18-10-6-4-5-7-11-18/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,17,20).
What are the key properties of 2-(azepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
2-(azepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 42913354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).