N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide

C19H19F2N5O — CID 24817326

IUPACN-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCc3c2cnn3-c2cc(F)cc(F)c2)nn1C
InChIInChI=1S/C19H19F2N5O/c1-11-6-17(24-25(11)2)19(27)23-16-4-3-5-18-15(16)10-22-26(18)14-8-12(20)7-13(21)9-14/h6-10,16H,3-5H2,1-2H3,(H,23,27)
InChIKeyGXHFCFOVDQPLFQ-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.00
Rot. Bonds3

About N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide

N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 24817326) has the molecular formula C19H19F2N5O and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID24817326
Molecular FormulaC19H19F2N5O
Molecular Weight371.39 g/mol
Exact Mass371.16
IUPAC NameN-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCc3c2cnn3-c2cc(F)cc(F)c2)nn1C
InChIInChI=1S/C19H19F2N5O/c1-11-6-17(24-25(11)2)19(27)23-16-4-3-5-18-15(16)10-22-26(18)14-8-12(20)7-13(21)9-14/h6-10,16H,3-5H2,1-2H3,(H,23,27)
InChIKeyGXHFCFOVDQPLFQ-UHFFFAOYSA-N
XLogP3.00
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide (CID 24817326) is N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCCc3c2cnn3-c2cc(F)cc(F)c2)nn1C.
What is the InChIKey of N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is GXHFCFOVDQPLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O/c1-11-6-17(24-25(11)2)19(27)23-16-4-3-5-18-15(16)10-22-26(18)14-8-12(20)7-13(21)9-14/h6-10,16H,3-5H2,1-2H3,(H,23,27).
What are the key properties of N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide?
N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 24817326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).