3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide

C14H19N3O2 — CID 72898729

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide
SMILESCc1n[nH]c(C)c1CCC(=O)N(C)Cc1ccoc1
InChIInChI=1S/C14H19N3O2/c1-10-13(11(2)16-15-10)4-5-14(18)17(3)8-12-6-7-19-9-12/h6-7,9H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyLNVBIACJXWULTL-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.21
Rot. Bonds5

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide (PubChem CID 72898729) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide
PubChem CID72898729
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide
SMILESCc1n[nH]c(C)c1CCC(=O)N(C)Cc1ccoc1
InChIInChI=1S/C14H19N3O2/c1-10-13(11(2)16-15-10)4-5-14(18)17(3)8-12-6-7-19-9-12/h6-7,9H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyLNVBIACJXWULTL-UHFFFAOYSA-N
XLogP2.21
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide (CID 72898729) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide is Cc1n[nH]c(C)c1CCC(=O)N(C)Cc1ccoc1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide?
The InChIKey is LNVBIACJXWULTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-13(11(2)16-15-10)4-5-14(18)17(3)8-12-6-7-19-9-12/h6-7,9H,4-5,8H2,1-3H3,(H,15,16).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide has a molecular weight of 261.32 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide is sourced from PubChem (CID 72898729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).