N-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide

C18H24FN5O — CID 166112907

IUPACN-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide
SMILESCC1(C)Cc2[nH]nc(C(=O)Nc3cnn(C4CCC4)c3)c2CC1(C)F
InChIInChI=1S/C18H24FN5O/c1-17(2)8-14-13(7-18(17,3)19)15(23-22-14)16(25)21-11-9-20-24(10-11)12-5-4-6-12/h9-10,12H,4-8H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyWLESVGIFTHMXPQ-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.44
Rot. Bonds3

About N-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide

N-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide (PubChem CID 166112907) has the molecular formula C18H24FN5O and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide
PubChem CID166112907
Molecular FormulaC18H24FN5O
Molecular Weight345.42 g/mol
Exact Mass345.20
IUPAC NameN-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide
SMILESCC1(C)Cc2[nH]nc(C(=O)Nc3cnn(C4CCC4)c3)c2CC1(C)F
InChIInChI=1S/C18H24FN5O/c1-17(2)8-14-13(7-18(17,3)19)15(23-22-14)16(25)21-11-9-20-24(10-11)12-5-4-6-12/h9-10,12H,4-8H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyWLESVGIFTHMXPQ-UHFFFAOYSA-N
XLogP3.44
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide?
The IUPAC name of N-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide (CID 166112907) is N-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide is CC1(C)Cc2[nH]nc(C(=O)Nc3cnn(C4CCC4)c3)c2CC1(C)F.
What is the InChIKey of N-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide?
The InChIKey is WLESVGIFTHMXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O/c1-17(2)8-14-13(7-18(17,3)19)15(23-22-14)16(25)21-11-9-20-24(10-11)12-5-4-6-12/h9-10,12H,4-8H2,1-3H3,(H,21,25)(H,22,23).
What are the key properties of N-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide?
N-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 166112907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).