N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide

C18H18FN5O — CID 24817447

IUPACN-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCCc2c1cnn2-c1ccccc1F
InChIInChI=1S/C18H18FN5O/c1-23-17(9-10-20-23)18(25)22-14-6-4-8-15-12(14)11-21-24(15)16-7-3-2-5-13(16)19/h2-3,5,7,9-11,14H,4,6,8H2,1H3,(H,22,25)
InChIKeyZFXSRSREUVYGOD-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.55
Rot. Bonds3

About N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide

N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 24817447) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide
PubChem CID24817447
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC NameN-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCCc2c1cnn2-c1ccccc1F
InChIInChI=1S/C18H18FN5O/c1-23-17(9-10-20-23)18(25)22-14-6-4-8-15-12(14)11-21-24(15)16-7-3-2-5-13(16)19/h2-3,5,7,9-11,14H,4,6,8H2,1H3,(H,22,25)
InChIKeyZFXSRSREUVYGOD-UHFFFAOYSA-N
XLogP2.55
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyridine-2-carboxamide
CID 129104732
2-chloro-6-fluoro-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 45215664
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,6-dimethylpyrimidine-4-carboxamide
CID 24791226
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide
CID 24819235
3-bromo-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 160839490
N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]imidazo[1,5-a]pyridine-3-carboxamide
CID 129104749
N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-indazol-2-ylacetamide
CID 26317128
5-cyclopropyl-N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methylimidazole-4-carboxamide
CID 176715033
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 24817868
(R)-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropane-2-sulfinamide
CID 129104774
N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 176715014
N-[(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 42384413

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide (CID 24817447) is N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NC1CCCc2c1cnn2-c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is ZFXSRSREUVYGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-23-17(9-10-20-23)18(25)22-14-6-4-8-15-12(14)11-21-24(15)16-7-3-2-5-13(16)19/h2-3,5,7,9-11,14H,4,6,8H2,1H3,(H,22,25).
What are the key properties of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide?
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 24817447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).