N-(2,2-dimethyloxan-4-yl)-N-ethyl-3-(4-methylpyrazol-1-yl)propanamide

C16H27N3O2 — CID 91834098

IUPACN-(2,2-dimethyloxan-4-yl)-N-ethyl-3-(4-methylpyrazol-1-yl)propanamide
SMILESCCN(C(=O)CCn1cc(C)cn1)C1CCOC(C)(C)C1
InChIInChI=1S/C16H27N3O2/c1-5-19(14-7-9-21-16(3,4)10-14)15(20)6-8-18-12-13(2)11-17-18/h11-12,14H,5-10H2,1-4H3
InChIKeyFSKQRYUFPCTHTC-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.39
Rot. Bonds5

About N-(2,2-dimethyloxan-4-yl)-N-ethyl-3-(4-methylpyrazol-1-yl)propanamide

N-(2,2-dimethyloxan-4-yl)-N-ethyl-3-(4-methylpyrazol-1-yl)propanamide (PubChem CID 91834098) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-N-ethyl-3-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-N-ethyl-3-(4-methylpyrazol-1-yl)propanamide
PubChem CID91834098
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-(2,2-dimethyloxan-4-yl)-N-ethyl-3-(4-methylpyrazol-1-yl)propanamide
SMILESCCN(C(=O)CCn1cc(C)cn1)C1CCOC(C)(C)C1
InChIInChI=1S/C16H27N3O2/c1-5-19(14-7-9-21-16(3,4)10-14)15(20)6-8-18-12-13(2)11-17-18/h11-12,14H,5-10H2,1-4H3
InChIKeyFSKQRYUFPCTHTC-UHFFFAOYSA-N
XLogP2.39
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-(tetrahydro-2H-pyran-4-yl)-3-piperidinecarboxamide
CID 72857943
(3R*,4R*)-3-methyl-1-[(1-methyl-1H-pyrazol-4-yl)carbonyl]-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72919069
1-[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 137979213
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-N-ethyl-2,2-dimethyloxan-4-amine
CID 132356779
(3R*,4R*)-1-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-3-methyl-4-(tetrahydro-2H-pyran-4-yl)piperidin-4-ol
CID 70753146
[4-[Methyl(oxan-4-yl)amino]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 91916235
Tert-butyl 3-[(4-methylpyrazol-1-yl)methyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 135252242
Tert-butyl 3-(4-methylpyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 163735915
1-(2-Methyloxan-4-yl)pyrazole-4-carboxamide
CID 164945759
N-methyl-1-propan-2-yl-N-[3-(3-propan-2-ylcyclobutyl)oxypropyl]pyrazole-4-carboxamide
CID 176629618
3-Ethoxy-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 53621228
3-(2-Methylpropoxy)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 53623434

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-N-ethyl-3-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-N-ethyl-3-(4-methylpyrazol-1-yl)propanamide (CID 91834098) is N-(2,2-dimethyloxan-4-yl)-N-ethyl-3-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-N-ethyl-3-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-N-ethyl-3-(4-methylpyrazol-1-yl)propanamide is CCN(C(=O)CCn1cc(C)cn1)C1CCOC(C)(C)C1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-N-ethyl-3-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is FSKQRYUFPCTHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-19(14-7-9-21-16(3,4)10-14)15(20)6-8-18-12-13(2)11-17-18/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N-(2,2-dimethyloxan-4-yl)-N-ethyl-3-(4-methylpyrazol-1-yl)propanamide?
N-(2,2-dimethyloxan-4-yl)-N-ethyl-3-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 293.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-N-ethyl-3-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 91834098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).