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

C26H23F2N5O2 — CID 20595264

IUPACN-[2-fluoro-4-(morpholine-4-carboximidoyl)phenyl]-2-(3-fluoronaphthalen-2-yl)-5-methylpyrazole-3-carboxamide
SMILES[H]/N=C(/c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2F)c(F)c1)N1CCOCC1
InChIInChI=1S/C26H23F2N5O2/c1-16-12-24(33(31-16)23-15-18-5-3-2-4-17(18)13-21(23)28)26(34)30-22-7-6-19(14-20(22)27)25(29)32-8-10-35-11-9-32/h2-7,12-15,29H,8-11H2,1H3,(H,30,34)/b29-25-
InChIKeyDZVITLXDZRGFHH-GNVQSUKOSA-N
MW475.50 g/mol
LogP4.52
Rot. Bonds4

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

N-[2-fluoro-4-(morpholine-4-carboximidoyl)phenyl]-2-(3-fluoronaphthalen-2-yl)-5-methylpyrazole-3-carboxamide (PubChem CID 20595264) has the molecular formula C26H23F2N5O2 and a molecular weight of 475.50 g/mol. Its IUPAC name is N-[2-fluoro-4-(morpholine-4-carboximidoyl)phenyl]-2-(3-fluoronaphthalen-2-yl)-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(morpholine-4-carboximidoyl)phenyl]-2-(3-fluoronaphthalen-2-yl)-5-methylpyrazole-3-carboxamide
PubChem CID20595264
Molecular FormulaC26H23F2N5O2
Molecular Weight475.50 g/mol
Exact Mass475.18
IUPAC NameN-[2-fluoro-4-(morpholine-4-carboximidoyl)phenyl]-2-(3-fluoronaphthalen-2-yl)-5-methylpyrazole-3-carboxamide
SMILES[H]/N=C(/c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2F)c(F)c1)N1CCOCC1
InChIInChI=1S/C26H23F2N5O2/c1-16-12-24(33(31-16)23-15-18-5-3-2-4-17(18)13-21(23)28)26(34)30-22-7-6-19(14-20(22)27)25(29)32-8-10-35-11-9-32/h2-7,12-15,29H,8-11H2,1H3,(H,30,34)/b29-25-
InChIKeyDZVITLXDZRGFHH-GNVQSUKOSA-N
XLogP4.52
TPSA83.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(morpholine-4-carboximidoyl)phenyl]-2-(3-fluoronaphthalen-2-yl)-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-fluoro-4-(morpholine-4-carboximidoyl)phenyl]-2-(3-fluoronaphthalen-2-yl)-5-methylpyrazole-3-carboxamide (CID 20595264) is N-[2-fluoro-4-(morpholine-4-carboximidoyl)phenyl]-2-(3-fluoronaphthalen-2-yl)-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-4-(morpholine-4-carboximidoyl)phenyl]-2-(3-fluoronaphthalen-2-yl)-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-fluoro-4-(morpholine-4-carboximidoyl)phenyl]-2-(3-fluoronaphthalen-2-yl)-5-methylpyrazole-3-carboxamide is [H]/N=C(/c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2F)c(F)c1)N1CCOCC1.
What is the InChIKey of N-[2-fluoro-4-(morpholine-4-carboximidoyl)phenyl]-2-(3-fluoronaphthalen-2-yl)-5-methylpyrazole-3-carboxamide?
The InChIKey is DZVITLXDZRGFHH-GNVQSUKOSA-N. The full InChI is InChI=1S/C26H23F2N5O2/c1-16-12-24(33(31-16)23-15-18-5-3-2-4-17(18)13-21(23)28)26(34)30-22-7-6-19(14-20(22)27)25(29)32-8-10-35-11-9-32/h2-7,12-15,29H,8-11H2,1H3,(H,30,34)/b29-25-.
What are the key properties of N-[2-fluoro-4-(morpholine-4-carboximidoyl)phenyl]-2-(3-fluoronaphthalen-2-yl)-5-methylpyrazole-3-carboxamide?
N-[2-fluoro-4-(morpholine-4-carboximidoyl)phenyl]-2-(3-fluoronaphthalen-2-yl)-5-methylpyrazole-3-carboxamide has a molecular weight of 475.50 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(morpholine-4-carboximidoyl)phenyl]-2-(3-fluoronaphthalen-2-yl)-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 20595264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).