N-(2,5-dimethylpyrazol-3-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide

C13H15N3O2 — CID 47449977

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESCc1cc(NC(=O)C2CC2c2ccco2)n(C)n1
InChIInChI=1S/C13H15N3O2/c1-8-6-12(16(2)15-8)14-13(17)10-7-9(10)11-4-3-5-18-11/h3-6,9-10H,7H2,1-2H3,(H,14,17)
InChIKeyDMZBZSWPTRQSST-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.06
Rot. Bonds3

About N-(2,5-dimethylpyrazol-3-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide

N-(2,5-dimethylpyrazol-3-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide (PubChem CID 47449977) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide
PubChem CID47449977
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESCc1cc(NC(=O)C2CC2c2ccco2)n(C)n1
InChIInChI=1S/C13H15N3O2/c1-8-6-12(16(2)15-8)14-13(17)10-7-9(10)11-4-3-5-18-11/h3-6,9-10H,7H2,1-2H3,(H,14,17)
InChIKeyDMZBZSWPTRQSST-UHFFFAOYSA-N
XLogP2.06
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide (CID 47449977) is N-(2,5-dimethylpyrazol-3-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide is Cc1cc(NC(=O)C2CC2c2ccco2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is DMZBZSWPTRQSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-6-12(16(2)15-8)14-13(17)10-7-9(10)11-4-3-5-18-11/h3-6,9-10H,7H2,1-2H3,(H,14,17).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide?
N-(2,5-dimethylpyrazol-3-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 47449977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).