2-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenyl]-5-methylpyrazole-3-carboxamide

C26H23F2N5O — CID 21366562

IUPAC2-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenyl]-5-methylpyrazole-3-carboxamide
SMILES[H]/N=C(/c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2F)c(F)c1)N1CCCC1
InChIInChI=1S/C26H23F2N5O/c1-16-12-24(33(31-16)23-15-18-7-3-2-6-17(18)13-21(23)28)26(34)30-22-9-8-19(14-20(22)27)25(29)32-10-4-5-11-32/h2-3,6-9,12-15,29H,4-5,10-11H2,1H3,(H,30,34)/b29-25-
InChIKeyLQHYFMKRZYGPBR-GNVQSUKOSA-N
MW459.50 g/mol
LogP5.29
Rot. Bonds4

About 2-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenyl]-5-methylpyrazole-3-carboxamide

2-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenyl]-5-methylpyrazole-3-carboxamide (PubChem CID 21366562) has the molecular formula C26H23F2N5O and a molecular weight of 459.50 g/mol. Its IUPAC name is 2-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenyl]-5-methylpyrazole-3-carboxamide
PubChem CID21366562
Molecular FormulaC26H23F2N5O
Molecular Weight459.50 g/mol
Exact Mass459.19
IUPAC Name2-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenyl]-5-methylpyrazole-3-carboxamide
SMILES[H]/N=C(/c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2F)c(F)c1)N1CCCC1
InChIInChI=1S/C26H23F2N5O/c1-16-12-24(33(31-16)23-15-18-7-3-2-6-17(18)13-21(23)28)26(34)30-22-9-8-19(14-20(22)27)25(29)32-10-4-5-11-32/h2-3,6-9,12-15,29H,4-5,10-11H2,1H3,(H,30,34)/b29-25-
InChIKeyLQHYFMKRZYGPBR-GNVQSUKOSA-N
XLogP5.29
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.50
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenyl]-5-methylpyrazole-3-carboxamide 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 2-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 2-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenyl]-5-methylpyrazole-3-carboxamide (CID 21366562) is 2-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenyl]-5-methylpyrazole-3-carboxamide is [H]/N=C(/c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2F)c(F)c1)N1CCCC1.
What is the InChIKey of 2-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is LQHYFMKRZYGPBR-GNVQSUKOSA-N. The full InChI is InChI=1S/C26H23F2N5O/c1-16-12-24(33(31-16)23-15-18-7-3-2-6-17(18)13-21(23)28)26(34)30-22-9-8-19(14-20(22)27)25(29)32-10-4-5-11-32/h2-3,6-9,12-15,29H,4-5,10-11H2,1H3,(H,30,34)/b29-25-.
What are the key properties of 2-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenyl]-5-methylpyrazole-3-carboxamide?
2-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 459.50 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 21366562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).