1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C19H18FN3O2 — CID 18135645

IUPAC1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C19H18FN3O2/c1-22(12-15-4-3-11-25-15)19(24)18-16-5-2-6-17(16)23(21-18)14-9-7-13(20)8-10-14/h3-4,7-11H,2,5-6,12H2,1H3
InChIKeyCOBLZMBELRSHDO-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.37
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 18135645) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID18135645
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C19H18FN3O2/c1-22(12-15-4-3-11-25-15)19(24)18-16-5-2-6-17(16)23(21-18)14-9-7-13(20)8-10-14/h3-4,7-11H,2,5-6,12H2,1H3
InChIKeyCOBLZMBELRSHDO-UHFFFAOYSA-N
XLogP3.37
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 18135645) is 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is CN(Cc1ccco1)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2.
What is the InChIKey of 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is COBLZMBELRSHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-22(12-15-4-3-11-25-15)19(24)18-16-5-2-6-17(16)23(21-18)14-9-7-13(20)8-10-14/h3-4,7-11H,2,5-6,12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 18135645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).