N-pentan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)oxypropanamide

C14H25N3O2 — CID 116805212

IUPACN-pentan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)oxypropanamide
SMILESCCCC(C)NC(=O)C(C)Oc1cnn(C(C)C)c1
InChIInChI=1S/C14H25N3O2/c1-6-7-11(4)16-14(18)12(5)19-13-8-15-17(9-13)10(2)3/h8-12H,6-7H2,1-5H3,(H,16,18)
InChIKeyQRIGISMTGACAMN-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.54
Rot. Bonds7

About N-pentan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)oxypropanamide

N-pentan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)oxypropanamide (PubChem CID 116805212) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-pentan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)oxypropanamide.

Molecular Properties

Compound NameN-pentan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)oxypropanamide
PubChem CID116805212
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-pentan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)oxypropanamide
SMILESCCCC(C)NC(=O)C(C)Oc1cnn(C(C)C)c1
InChIInChI=1S/C14H25N3O2/c1-6-7-11(4)16-14(18)12(5)19-13-8-15-17(9-13)10(2)3/h8-12H,6-7H2,1-5H3,(H,16,18)
InChIKeyQRIGISMTGACAMN-UHFFFAOYSA-N
XLogP2.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(1-propan-2-ylpyrazol-4-yl)oxypentanoate
CID 116799923
N-butan-2-yl-2-(1-propylpyrazol-4-yl)oxypropanamide
CID 116804928
2-(1-propan-2-ylpyrazol-4-yl)oxyhexanoic acid
CID 116799916
2-[(6-fluoro-3-pyridinyl)oxy]-N-pentan-2-ylpropanamide
CID 113296486
5-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxypyridine-2-carboxylic acid
CID 79794781
(1-propan-2-ylpyrazol-4-yl) N-propylcarbamate
CID 13101187
(2S)-2-(3-methoxyphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 99953946
2-[4-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxyphenyl]acetic acid
CID 43113710
2-(1-ethylpyrazol-4-yl)oxy-N-methylpropanamide
CID 116804462
N-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)oxyacetamide
CID 116805305
(2R)-N-[(2S)-pentan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558239
(2S)-N-[(2S)-pentan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558253

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)oxypropanamide?
The IUPAC name of N-pentan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)oxypropanamide (CID 116805212) is N-pentan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)oxypropanamide.
What is the SMILES notation for N-pentan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)oxypropanamide?
The canonical SMILES for N-pentan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)oxypropanamide is CCCC(C)NC(=O)C(C)Oc1cnn(C(C)C)c1.
What is the InChIKey of N-pentan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)oxypropanamide?
The InChIKey is QRIGISMTGACAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-6-7-11(4)16-14(18)12(5)19-13-8-15-17(9-13)10(2)3/h8-12H,6-7H2,1-5H3,(H,16,18).
What are the key properties of N-pentan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)oxypropanamide?
N-pentan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)oxypropanamide has a molecular weight of 267.37 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)oxypropanamide is sourced from PubChem (CID 116805212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).