1-benzyl-5-(difluoromethyl)-N-methoxy-N-methylpyrazole-4-carboxamide

C14H15F2N3O2 — CID 139467089

IUPAC1-benzyl-5-(difluoromethyl)-N-methoxy-N-methylpyrazole-4-carboxamide
SMILESCON(C)C(=O)c1cnn(Cc2ccccc2)c1C(F)F
InChIInChI=1S/C14H15F2N3O2/c1-18(21-2)14(20)11-8-17-19(12(11)13(15)16)9-10-6-4-3-5-7-10/h3-8,13H,9H2,1-2H3
InChIKeyKBOUOJDNIUJXIU-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.50
Rot. Bonds5

About 1-benzyl-5-(difluoromethyl)-N-methoxy-N-methylpyrazole-4-carboxamide

1-benzyl-5-(difluoromethyl)-N-methoxy-N-methylpyrazole-4-carboxamide (PubChem CID 139467089) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is 1-benzyl-5-(difluoromethyl)-N-methoxy-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-(difluoromethyl)-N-methoxy-N-methylpyrazole-4-carboxamide
PubChem CID139467089
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name1-benzyl-5-(difluoromethyl)-N-methoxy-N-methylpyrazole-4-carboxamide
SMILESCON(C)C(=O)c1cnn(Cc2ccccc2)c1C(F)F
InChIInChI=1S/C14H15F2N3O2/c1-18(21-2)14(20)11-8-17-19(12(11)13(15)16)9-10-6-4-3-5-7-10/h3-8,13H,9H2,1-2H3
InChIKeyKBOUOJDNIUJXIU-UHFFFAOYSA-N
XLogP2.50
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-benzyl-5-(difluoromethyl)-N-methoxy-N-methylpyrazole-4-carboxamide 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

1-benzyl-N-methoxy-N-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24688178
ethyl 5-(difluoromethyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate
CID 63234944
ethyl 1-benzyl-5-propan-2-ylpyrazole-4-carboxylate
CID 60768852
1-benzyl-5-fluoropyrazole-4-carboxylic acid
CID 115031839
N-(1-aminopropan-2-yl)-1-benzyl-N,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119584582
1-(1-benzyl-5-fluoropyrazol-4-yl)ethanone
CID 115030502
2-[(1-benzyl-5-methylpyrazole-4-carbonyl)-methylamino]acetic acid
CID 119171995
N,1-dibenzyl-5-ethyl-N-methylpyrazole-4-carboxamide
CID 78874071
ethyl 5-amino-1-benzylpyrazole-4-carboxylate
CID 785810
4-benzyl-N-methoxy-N-methylpyridine-3-carboxamide
CID 11459527
1-benzyl-5-(difluoromethyl)-4-(3-fluoro-4-methoxyphenyl)pyrazole
CID 56978791
N-[[1-benzyl-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66440086

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(difluoromethyl)-N-methoxy-N-methylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-(difluoromethyl)-N-methoxy-N-methylpyrazole-4-carboxamide (CID 139467089) is 1-benzyl-5-(difluoromethyl)-N-methoxy-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-(difluoromethyl)-N-methoxy-N-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-(difluoromethyl)-N-methoxy-N-methylpyrazole-4-carboxamide is CON(C)C(=O)c1cnn(Cc2ccccc2)c1C(F)F.
What is the InChIKey of 1-benzyl-5-(difluoromethyl)-N-methoxy-N-methylpyrazole-4-carboxamide?
The InChIKey is KBOUOJDNIUJXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c1-18(21-2)14(20)11-8-17-19(12(11)13(15)16)9-10-6-4-3-5-7-10/h3-8,13H,9H2,1-2H3.
What are the key properties of 1-benzyl-5-(difluoromethyl)-N-methoxy-N-methylpyrazole-4-carboxamide?
1-benzyl-5-(difluoromethyl)-N-methoxy-N-methylpyrazole-4-carboxamide has a molecular weight of 295.29 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(difluoromethyl)-N-methoxy-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 139467089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).