(4R)-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

C17H15F2N5O — CID 97010653

IUPAC(4R)-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESO=C(Nc1cc(-c2cccc(F)c2F)[nH]n1)[C@@H]1CCCc2[nH]ncc21
InChIInChI=1S/C17H15F2N5O/c18-12-5-1-4-10(16(12)19)14-7-15(24-23-14)21-17(25)9-3-2-6-13-11(9)8-20-22-13/h1,4-5,7-9H,2-3,6H2,(H,20,22)(H2,21,23,24,25)/t9-/m1/s1
InChIKeyBZPXYTOXZCYTAJ-SECBINFHSA-N
MW343.34 g/mol
LogP3.14
Rot. Bonds3

About (4R)-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

(4R)-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (PubChem CID 97010653) has the molecular formula C17H15F2N5O and a molecular weight of 343.34 g/mol. Its IUPAC name is (4R)-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
PubChem CID97010653
Molecular FormulaC17H15F2N5O
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name(4R)-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESO=C(Nc1cc(-c2cccc(F)c2F)[nH]n1)[C@@H]1CCCc2[nH]ncc21
InChIInChI=1S/C17H15F2N5O/c18-12-5-1-4-10(16(12)19)14-7-15(24-23-14)21-17(25)9-3-2-6-13-11(9)8-20-22-13/h1,4-5,7-9H,2-3,6H2,(H,20,22)(H2,21,23,24,25)/t9-/m1/s1
InChIKeyBZPXYTOXZCYTAJ-SECBINFHSA-N
XLogP3.14
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 99782658
N-hydroxy-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 130625748
N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-ethylsulfonylacetamide
CID 75381080
6-amino-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 166319443
N-[5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-yl]cyclopropanecarboxamide
CID 155961890
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126772649
N-[6-(3-ethylphenoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126795027
1-cyclopropyl-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 154851203
N-[6-(2-phenylethoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126789214
N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126766189
N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 71917921
(4S)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 124576290

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The IUPAC name of (4R)-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (CID 97010653) is (4R)-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.
What is the SMILES notation for (4R)-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The canonical SMILES for (4R)-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is O=C(Nc1cc(-c2cccc(F)c2F)[nH]n1)[C@@H]1CCCc2[nH]ncc21.
What is the InChIKey of (4R)-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The InChIKey is BZPXYTOXZCYTAJ-SECBINFHSA-N. The full InChI is InChI=1S/C17H15F2N5O/c18-12-5-1-4-10(16(12)19)14-7-15(24-23-14)21-17(25)9-3-2-6-13-11(9)8-20-22-13/h1,4-5,7-9H,2-3,6H2,(H,20,22)(H2,21,23,24,25)/t9-/m1/s1.
What are the key properties of (4R)-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
(4R)-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide has a molecular weight of 343.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is sourced from PubChem (CID 97010653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).