N,N-di(butan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide

C14H25N3O — CID 86795405

IUPACN,N-di(butan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCCC(C)N(C(=O)Cc1cnn(C)c1)C(C)CC
InChIInChI=1S/C14H25N3O/c1-6-11(3)17(12(4)7-2)14(18)8-13-9-15-16(5)10-13/h9-12H,6-8H2,1-5H3
InChIKeyDVXOOIRDSXUNDR-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.39
Rot. Bonds6

About N,N-di(butan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide

N,N-di(butan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 86795405) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N,N-di(butan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN,N-di(butan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID86795405
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN,N-di(butan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCCC(C)N(C(=O)Cc1cnn(C)c1)C(C)CC
InChIInChI=1S/C14H25N3O/c1-6-11(3)17(12(4)7-2)14(18)8-13-9-15-16(5)10-13/h9-12H,6-8H2,1-5H3
InChIKeyDVXOOIRDSXUNDR-UHFFFAOYSA-N
XLogP2.39
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-di(butan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl-[2-(1-methylpyrazol-4-yl)acetyl]amino]propanoic acid
CID 119358246
4-amino-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116555966
2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide
CID 130716283
4-amino-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116612324
2-(1-methylpyrazol-4-yl)-N-piperidin-4-yl-N-propylacetamide
CID 119823248
4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one
CID 62126204
3-methyl-2-[(1-methylpyrazol-4-yl)methyl]butanoic acid
CID 62126220
1-cyclopentyl-2-(1-methylpyrazol-4-yl)ethanone
CID 62127487
3-methyl-5-(1-methylpyrazol-4-yl)pentan-2-one
CID 103004218
1-ethylsulfanyl-3-(1-methylpyrazol-4-yl)propan-2-one
CID 65130546
N-cyclopropyl-2-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 119060916
1-(2,2-dimethylcyclopropyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 107003822

Frequently Asked Questions

What is the IUPAC name of N,N-di(butan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of N,N-di(butan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide (CID 86795405) is N,N-di(butan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for N,N-di(butan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for N,N-di(butan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide is CCC(C)N(C(=O)Cc1cnn(C)c1)C(C)CC.
What is the InChIKey of N,N-di(butan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is DVXOOIRDSXUNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-6-11(3)17(12(4)7-2)14(18)8-13-9-15-16(5)10-13/h9-12H,6-8H2,1-5H3.
What are the key properties of N,N-di(butan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide?
N,N-di(butan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 251.37 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(butan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 86795405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).