2-ethyl-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazole-3-carboxamide

C22H26FN5O — CID 24817234

IUPAC2-ethyl-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NC1CC(C)(C)Cc2c1cnn2-c1cccc(F)c1
InChIInChI=1S/C22H26FN5O/c1-5-27-19(9-14(2)26-27)21(29)25-18-11-22(3,4)12-20-17(18)13-24-28(20)16-8-6-7-15(23)10-16/h6-10,13,18H,5,11-12H2,1-4H3,(H,25,29)
InChIKeyTZGCAWAFIUSYNT-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.98
Rot. Bonds4

About 2-ethyl-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazole-3-carboxamide

2-ethyl-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazole-3-carboxamide (PubChem CID 24817234) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is 2-ethyl-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazole-3-carboxamide
PubChem CID24817234
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC Name2-ethyl-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NC1CC(C)(C)Cc2c1cnn2-c1cccc(F)c1
InChIInChI=1S/C22H26FN5O/c1-5-27-19(9-14(2)26-27)21(29)25-18-11-22(3,4)12-20-17(18)13-24-28(20)16-8-6-7-15(23)10-16/h6-10,13,18H,5,11-12H2,1-4H3,(H,25,29)
InChIKeyTZGCAWAFIUSYNT-UHFFFAOYSA-N
XLogP3.98
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazole-3-carboxamide (CID 24817234) is 2-ethyl-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)NC1CC(C)(C)Cc2c1cnn2-c1cccc(F)c1.
What is the InChIKey of 2-ethyl-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazole-3-carboxamide?
The InChIKey is TZGCAWAFIUSYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-5-27-19(9-14(2)26-27)21(29)25-18-11-22(3,4)12-20-17(18)13-24-28(20)16-8-6-7-15(23)10-16/h6-10,13,18H,5,11-12H2,1-4H3,(H,25,29).
What are the key properties of 2-ethyl-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazole-3-carboxamide?
2-ethyl-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazole-3-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 24817234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).