N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide

C17H15F2N5O — CID 46916312

IUPACN-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccn[nH]1
InChIInChI=1S/C17H15F2N5O/c18-10-4-5-16(12(19)8-10)24-15-3-1-2-13(11(15)9-21-24)22-17(25)14-6-7-20-23-14/h4-9,13H,1-3H2,(H,20,23)(H,22,25)
InChIKeyFPGSOJGURYWSSR-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.68
Rot. Bonds3

About N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide

N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 46916312) has the molecular formula C17H15F2N5O and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID46916312
Molecular FormulaC17H15F2N5O
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccn[nH]1
InChIInChI=1S/C17H15F2N5O/c18-10-4-5-16(12(19)8-10)24-15-3-1-2-13(11(15)9-21-24)22-17(25)14-6-7-20-23-14/h4-9,13H,1-3H2,(H,20,23)(H,22,25)
InChIKeyFPGSOJGURYWSSR-UHFFFAOYSA-N
XLogP2.68
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide (CID 46916312) is N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide is O=C(NC1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccn[nH]1.
What is the InChIKey of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is FPGSOJGURYWSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O/c18-10-4-5-16(12(19)8-10)24-15-3-1-2-13(11(15)9-21-24)22-17(25)14-6-7-20-23-14/h4-9,13H,1-3H2,(H,20,23)(H,22,25).
What are the key properties of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide?
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 343.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46916312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).