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

C21H24FN5O — CID 24793186

IUPAC1-ethyl-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)cn1
InChIInChI=1S/C21H24FN5O/c1-4-26-13-14(11-23-26)20(28)25-18-9-21(2,3)10-19-17(18)12-24-27(19)16-7-5-6-15(22)8-16/h5-8,11-13,18H,4,9-10H2,1-3H3,(H,25,28)
InChIKeyWJHVGTAEQMILSF-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.67
Rot. Bonds4

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

1-ethyl-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrazole-4-carboxamide (PubChem CID 24793186) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is 1-ethyl-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrazole-4-carboxamide
PubChem CID24793186
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name1-ethyl-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)cn1
InChIInChI=1S/C21H24FN5O/c1-4-26-13-14(11-23-26)20(28)25-18-9-21(2,3)10-19-17(18)12-24-27(19)16-7-5-6-15(22)8-16/h5-8,11-13,18H,4,9-10H2,1-3H3,(H,25,28)
InChIKeyWJHVGTAEQMILSF-UHFFFAOYSA-N
XLogP3.67
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrazole-4-carboxamide (CID 24793186) is 1-ethyl-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrazole-4-carboxamide is CCn1cc(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)cn1.
What is the InChIKey of 1-ethyl-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrazole-4-carboxamide?
The InChIKey is WJHVGTAEQMILSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-4-26-13-14(11-23-26)20(28)25-18-9-21(2,3)10-19-17(18)12-24-27(19)16-7-5-6-15(22)8-16/h5-8,11-13,18H,4,9-10H2,1-3H3,(H,25,28).
What are the key properties of 1-ethyl-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrazole-4-carboxamide?
1-ethyl-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrazole-4-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 24793186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).