N-butan-2-yl-2-(1-propylpyrazol-4-yl)oxypropanamide

C13H23N3O2 — CID 116804928

IUPACN-butan-2-yl-2-(1-propylpyrazol-4-yl)oxypropanamide
SMILESCCCn1cc(OC(C)C(=O)NC(C)CC)cn1
InChIInChI=1S/C13H23N3O2/c1-5-7-16-9-12(8-14-16)18-11(4)13(17)15-10(3)6-2/h8-11H,5-7H2,1-4H3,(H,15,17)
InChIKeyLITXNULDYCLQME-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.98
Rot. Bonds7

About N-butan-2-yl-2-(1-propylpyrazol-4-yl)oxypropanamide

N-butan-2-yl-2-(1-propylpyrazol-4-yl)oxypropanamide (PubChem CID 116804928) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-butan-2-yl-2-(1-propylpyrazol-4-yl)oxypropanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(1-propylpyrazol-4-yl)oxypropanamide
PubChem CID116804928
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-butan-2-yl-2-(1-propylpyrazol-4-yl)oxypropanamide
SMILESCCCn1cc(OC(C)C(=O)NC(C)CC)cn1
InChIInChI=1S/C13H23N3O2/c1-5-7-16-9-12(8-14-16)18-11(4)13(17)15-10(3)6-2/h8-11H,5-7H2,1-4H3,(H,15,17)
InChIKeyLITXNULDYCLQME-UHFFFAOYSA-N
XLogP1.98
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-pentan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)oxypropanamide
CID 116805212
3-methyl-2-(1-propylpyrazol-4-yl)oxybutanoic acid
CID 116799986
2-(1-ethylpyrazol-4-yl)oxy-N-methylpropanamide
CID 116804462
2-(1-propylpyrazol-4-yl)oxybutanamide
CID 116804832
4-(1-propylpyrazol-4-yl)oxypentanehydrazide
CID 116804100
N-cyclopropyl-2-(1-ethylpyrazol-4-yl)oxypropanamide
CID 116804714
N-butan-2-yl-2-(4-methylphenoxy)propanamide
CID 42909893
(2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 925169
N-(ethylcarbamoyl)-2-(1-methylpyrazol-4-yl)oxypropanamide
CID 116794030
N-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)oxyacetamide
CID 116804964
N-(3-methylbutyl)-2-(1-methylpyrazol-4-yl)oxypropanamide
CID 116793941
N-methyl-2-(1-methylpyrazol-4-yl)oxypropanamide
CID 116793988

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(1-propylpyrazol-4-yl)oxypropanamide?
The IUPAC name of N-butan-2-yl-2-(1-propylpyrazol-4-yl)oxypropanamide (CID 116804928) is N-butan-2-yl-2-(1-propylpyrazol-4-yl)oxypropanamide.
What is the SMILES notation for N-butan-2-yl-2-(1-propylpyrazol-4-yl)oxypropanamide?
The canonical SMILES for N-butan-2-yl-2-(1-propylpyrazol-4-yl)oxypropanamide is CCCn1cc(OC(C)C(=O)NC(C)CC)cn1.
What is the InChIKey of N-butan-2-yl-2-(1-propylpyrazol-4-yl)oxypropanamide?
The InChIKey is LITXNULDYCLQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-7-16-9-12(8-14-16)18-11(4)13(17)15-10(3)6-2/h8-11H,5-7H2,1-4H3,(H,15,17).
What are the key properties of N-butan-2-yl-2-(1-propylpyrazol-4-yl)oxypropanamide?
N-butan-2-yl-2-(1-propylpyrazol-4-yl)oxypropanamide has a molecular weight of 253.35 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(1-propylpyrazol-4-yl)oxypropanamide is sourced from PubChem (CID 116804928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).