5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)-N-methyl-N-pentylpyrazole-3-carboxamide

C22H25FN4O2 — CID 70858732

IUPAC5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)-N-methyl-N-pentylpyrazole-3-carboxamide
SMILESCCCCCN(C)C(=O)c1cc(-c2ccc(F)cc2)n(-c2ccc(OC)nc2)n1
InChIInChI=1S/C22H25FN4O2/c1-4-5-6-13-26(2)22(28)19-14-20(16-7-9-17(23)10-8-16)27(25-19)18-11-12-21(29-3)24-15-18/h7-12,14-15H,4-6,13H2,1-3H3
InChIKeyABDAAHGNWPPEFD-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.34
Rot. Bonds8

About 5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)-N-methyl-N-pentylpyrazole-3-carboxamide

5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)-N-methyl-N-pentylpyrazole-3-carboxamide (PubChem CID 70858732) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)-N-methyl-N-pentylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)-N-methyl-N-pentylpyrazole-3-carboxamide
PubChem CID70858732
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)-N-methyl-N-pentylpyrazole-3-carboxamide
SMILESCCCCCN(C)C(=O)c1cc(-c2ccc(F)cc2)n(-c2ccc(OC)nc2)n1
InChIInChI=1S/C22H25FN4O2/c1-4-5-6-13-26(2)22(28)19-14-20(16-7-9-17(23)10-8-16)27(25-19)18-11-12-21(29-3)24-15-18/h7-12,14-15H,4-6,13H2,1-3H3
InChIKeyABDAAHGNWPPEFD-UHFFFAOYSA-N
XLogP4.34
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)-N-methyl-N-pentylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)-N-methyl-N-pentylpyrazole-3-carboxamide (CID 70858732) is 5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)-N-methyl-N-pentylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)-N-methyl-N-pentylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)-N-methyl-N-pentylpyrazole-3-carboxamide is CCCCCN(C)C(=O)c1cc(-c2ccc(F)cc2)n(-c2ccc(OC)nc2)n1.
What is the InChIKey of 5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)-N-methyl-N-pentylpyrazole-3-carboxamide?
The InChIKey is ABDAAHGNWPPEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-4-5-6-13-26(2)22(28)19-14-20(16-7-9-17(23)10-8-16)27(25-19)18-11-12-21(29-3)24-15-18/h7-12,14-15H,4-6,13H2,1-3H3.
What are the key properties of 5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)-N-methyl-N-pentylpyrazole-3-carboxamide?
5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)-N-methyl-N-pentylpyrazole-3-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)-N-methyl-N-pentylpyrazole-3-carboxamide is sourced from PubChem (CID 70858732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).