N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indazole-7-carboxamide

C16H13F2N3O2 — CID 43048623

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-1H-indazole-7-carboxamide
SMILESO=C(NCc1ccc(OC(F)F)cc1)c1cccc2cn[nH]c12
InChIInChI=1S/C16H13F2N3O2/c17-16(18)23-12-6-4-10(5-7-12)8-19-15(22)13-3-1-2-11-9-20-21-14(11)13/h1-7,9,16H,8H2,(H,19,22)(H,20,21)
InChIKeyZMVQOYKQLAFCFU-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.09
Rot. Bonds5

About N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indazole-7-carboxamide

N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indazole-7-carboxamide (PubChem CID 43048623) has the molecular formula C16H13F2N3O2 and a molecular weight of 317.30 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-1H-indazole-7-carboxamide
PubChem CID43048623
Molecular FormulaC16H13F2N3O2
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-1H-indazole-7-carboxamide
SMILESO=C(NCc1ccc(OC(F)F)cc1)c1cccc2cn[nH]c12
InChIInChI=1S/C16H13F2N3O2/c17-16(18)23-12-6-4-10(5-7-12)8-19-15(22)13-3-1-2-11-9-20-21-14(11)13/h1-7,9,16H,8H2,(H,19,22)(H,20,21)
InChIKeyZMVQOYKQLAFCFU-UHFFFAOYSA-N
XLogP3.09
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1H-indazole-7-carboxamide
CID 111424764
N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-indazole-7-carboxamide
CID 46576739
2-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyridine-2,6-dicarboxamide
CID 39047207
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide
CID 42006664
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1H-indazole-7-carboxamide
CID 46551555
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-indazole-7-carboxamide
CID 47057623
N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
CID 42006153
N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethoxypyridine-3-carboxamide
CID 42007122
N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indazole-7-carboxamide
CID 47036742
N-[[4-(difluoromethoxy)phenyl]methyl]quinoxaline-2-carboxamide
CID 134021244
N-[2-(methylamino)propyl]-1H-indazole-7-carboxamide;hydrochloride
CID 120826936
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-indazole-7-carboxamide
CID 47057863

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indazole-7-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indazole-7-carboxamide (CID 43048623) is N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indazole-7-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indazole-7-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indazole-7-carboxamide is O=C(NCc1ccc(OC(F)F)cc1)c1cccc2cn[nH]c12.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indazole-7-carboxamide?
The InChIKey is ZMVQOYKQLAFCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2/c17-16(18)23-12-6-4-10(5-7-12)8-19-15(22)13-3-1-2-11-9-20-21-14(11)13/h1-7,9,16H,8H2,(H,19,22)(H,20,21).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indazole-7-carboxamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indazole-7-carboxamide has a molecular weight of 317.30 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indazole-7-carboxamide is sourced from PubChem (CID 43048623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).