N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(oxan-4-yl)acetamide

C16H27N3O2 — CID 46988837

IUPACN-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(oxan-4-yl)acetamide
SMILESCCC(CC)n1nc(C)cc1NC(=O)CC1CCOCC1
InChIInChI=1S/C16H27N3O2/c1-4-14(5-2)19-15(10-12(3)18-19)17-16(20)11-13-6-8-21-9-7-13/h10,13-14H,4-9,11H2,1-3H3,(H,17,20)
InChIKeyINGXAODQOGVBGC-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.31
Rot. Bonds6

About N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(oxan-4-yl)acetamide

N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(oxan-4-yl)acetamide (PubChem CID 46988837) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(oxan-4-yl)acetamide
PubChem CID46988837
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(oxan-4-yl)acetamide
SMILESCCC(CC)n1nc(C)cc1NC(=O)CC1CCOCC1
InChIInChI=1S/C16H27N3O2/c1-4-14(5-2)19-15(10-12(3)18-19)17-16(20)11-13-6-8-21-9-7-13/h10,13-14H,4-9,11H2,1-3H3,(H,17,20)
InChIKeyINGXAODQOGVBGC-UHFFFAOYSA-N
XLogP3.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-ethylpropyl)-3-methyl-1H-pyrazol-5-yl]tetrahydrofuran-2-carboxamide
CID 50967434
N-[1-(1-ethylpropyl)-3-methyl-1H-pyrazol-5-yl]tetrahydrofuran-3-carboxamide
CID 50970124
5-[(2,5-Dimethylpyrazol-3-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 2811786
1-[2-[(2,5-Dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide
CID 36800338
N-(1,3-dimethyl-1H-pyrazol-5-yl)oxolane-2-carboxamide
CID 45147551
N-(1-isobutyl-3-methyl-1H-pyrazol-5-yl)-N'-(tetrahydro-2H-pyran-4-yl)urea
CID 72909167
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-N-(tetrahydro-2H-pyran-3-ylmethyl)acetamide
CID 86285216
(3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)oxolane-3-carboxamide
CID 136586422
(1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide
CID 164633113
N-[N'-(1-methoxypropan-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-(oxan-4-yl)acetamide
CID 72694590
N-[N'-(2-methylpropyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-(oxan-4-yl)acetamide
CID 72694592
N-methyl-1-[2-(oxan-4-yl)ethyl]-3-(trifluoromethyl)pyrazol-5-amine
CID 149308386

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(oxan-4-yl)acetamide?
The IUPAC name of N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(oxan-4-yl)acetamide (CID 46988837) is N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(oxan-4-yl)acetamide is CCC(CC)n1nc(C)cc1NC(=O)CC1CCOCC1.
What is the InChIKey of N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(oxan-4-yl)acetamide?
The InChIKey is INGXAODQOGVBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-14(5-2)19-15(10-12(3)18-19)17-16(20)11-13-6-8-21-9-7-13/h10,13-14H,4-9,11H2,1-3H3,(H,17,20).
What are the key properties of N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(oxan-4-yl)acetamide?
N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(oxan-4-yl)acetamide has a molecular weight of 293.41 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 46988837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).