N-butan-2-yl-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide

C16H29N3O2 — CID 126839782

IUPACN-butan-2-yl-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide
SMILESCCOCn1nc(C)c(CC(C)C(=O)NC(C)CC)c1C
InChIInChI=1S/C16H29N3O2/c1-7-12(4)17-16(20)11(3)9-15-13(5)18-19(14(15)6)10-21-8-2/h11-12H,7-10H2,1-6H3,(H,17,20)
InChIKeySLXYIAGTIJPIIH-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.59
Rot. Bonds8

About N-butan-2-yl-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide

N-butan-2-yl-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide (PubChem CID 126839782) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-butan-2-yl-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide
PubChem CID126839782
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-butan-2-yl-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide
SMILESCCOCn1nc(C)c(CC(C)C(=O)NC(C)CC)c1C
InChIInChI=1S/C16H29N3O2/c1-7-12(4)17-16(20)11(3)9-15-13(5)18-19(14(15)6)10-21-8-2/h11-12H,7-10H2,1-6H3,(H,17,20)
InChIKeySLXYIAGTIJPIIH-UHFFFAOYSA-N
XLogP2.59
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-ethoxypropyl)-2-methylpropanamide
CID 126839784
ethyl 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanoate
CID 23005995
2-[1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 61294462
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-butan-2-ylacetamide
CID 43647498
N-[(2R)-butan-2-yl]-2-methylbutanamide
CID 88542995
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-methylpropanoic acid
CID 65296103
3-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119170294
methyl 3-[3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazol-4-yl]-2-methylpropanoate
CID 65296474
3-[1-[(2-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanoic acid
CID 65296472
2-cyclopropyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid
CID 119213844
4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119170957
methyl N-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]carbamate
CID 90647625

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide?
The IUPAC name of N-butan-2-yl-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide (CID 126839782) is N-butan-2-yl-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-butan-2-yl-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide?
The canonical SMILES for N-butan-2-yl-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide is CCOCn1nc(C)c(CC(C)C(=O)NC(C)CC)c1C.
What is the InChIKey of N-butan-2-yl-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide?
The InChIKey is SLXYIAGTIJPIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-7-12(4)17-16(20)11(3)9-15-13(5)18-19(14(15)6)10-21-8-2/h11-12H,7-10H2,1-6H3,(H,17,20).
What are the key properties of N-butan-2-yl-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide?
N-butan-2-yl-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide has a molecular weight of 295.43 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide is sourced from PubChem (CID 126839782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).