N-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)propanamide

C12H19N3O3 — CID 136513566

IUPACN-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)propanamide
SMILESCn1cc(NC(=O)CCOC2CCOCC2)cn1
InChIInChI=1S/C12H19N3O3/c1-15-9-10(8-13-15)14-12(16)4-7-18-11-2-5-17-6-3-11/h8-9,11H,2-7H2,1H3,(H,14,16)
InChIKeyUCBPIXNKYRACQZ-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.94
Rot. Bonds5

About N-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)propanamide

N-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)propanamide (PubChem CID 136513566) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)propanamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)propanamide
PubChem CID136513566
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)propanamide
SMILESCn1cc(NC(=O)CCOC2CCOCC2)cn1
InChIInChI=1S/C12H19N3O3/c1-15-9-10(8-13-15)14-12(16)4-7-18-11-2-5-17-6-3-11/h8-9,11H,2-7H2,1H3,(H,14,16)
InChIKeyUCBPIXNKYRACQZ-UHFFFAOYSA-N
XLogP0.94
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-(oxan-4-yl)-1H-pyrazol-4-amine
CID 43608643
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 47327916
4,4,4-trifluoro-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)butanamide
CID 71810259
N-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)-N-propan-2-ylpropanamide
CID 75377771
N-[1-(3-methoxypropyl)pyrazol-4-yl]-2,2-dimethylpropanamide
CID 75505806
2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide
CID 97428010
1-(Tetrahydro-2H-pyran-4-YL)-1H-pyrazol-4-amine
CID 51063703
3-Methoxypropanoyl-(1-methylpyrazol-4-yl)azanium;3,3,3-trifluoropropanoate
CID 155389668
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-ethoxypropanamide
CID 60322467
2,2,2-trifluoro-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)acetamide
CID 90597743
2,2,3,3,4,4,4-heptafluoro-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)butanamide
CID 90597762
3,3,3-trifluoro-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)propanamide
CID 90597792

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)propanamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)propanamide (CID 136513566) is N-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)propanamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)propanamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)propanamide is Cn1cc(NC(=O)CCOC2CCOCC2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)propanamide?
The InChIKey is UCBPIXNKYRACQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-15-9-10(8-13-15)14-12(16)4-7-18-11-2-5-17-6-3-11/h8-9,11H,2-7H2,1H3,(H,14,16).
What are the key properties of N-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)propanamide?
N-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)propanamide has a molecular weight of 253.30 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)propanamide is sourced from PubChem (CID 136513566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).