N-[(2-methylphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid)

C23H19F6N5O5 — CID 117077939

IUPACN-[(2-methylphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCc1ccccc1CNC(=O)c1n[nH]c2cc(-c3cn[nH]c3)ccc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H17N5O.2C2HF3O2/c1-12-4-2-3-5-14(12)9-20-19(25)18-16-7-6-13(8-17(16)23-24-18)15-10-21-22-11-15;2*3-2(4,5)1(6)7/h2-8,10-11H,9H2,1H3,(H,20,25)(H,21,22)(H,23,24);2*(H,6,7)
InChIKeyBYVZJUHXFXYPNE-UHFFFAOYSA-N
MW559.42 g/mol
LogP4.46
Rot. Bonds4

About N-[(2-methylphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid)

N-[(2-methylphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 117077939) has the molecular formula C23H19F6N5O5 and a molecular weight of 559.42 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID117077939
Molecular FormulaC23H19F6N5O5
Molecular Weight559.42 g/mol
Exact Mass559.13
IUPAC NameN-[(2-methylphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCc1ccccc1CNC(=O)c1n[nH]c2cc(-c3cn[nH]c3)ccc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H17N5O.2C2HF3O2/c1-12-4-2-3-5-14(12)9-20-19(25)18-16-7-6-13(8-17(16)23-24-18)15-10-21-22-11-15;2*3-2(4,5)1(6)7/h2-8,10-11H,9H2,1H3,(H,20,25)(H,21,22)(H,23,24);2*(H,6,7)
InChIKeyBYVZJUHXFXYPNE-UHFFFAOYSA-N
XLogP4.46
TPSA161.06 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.42
LogP ≤ 54.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-4-(1H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)benzamide;2,2,2-trifluoroacetic acid
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N-benzyl-N-(cyclopropylmethyl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
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N-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71267356
N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889561
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CID 51046542
6-[6-methoxy-5-[[2-(2-methylpropoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide
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5-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824609
N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 166041473
N-benzyl-2-(2-hydroxyethyl)-4-(1H-pyrazol-4-yl)benzamide
CID 118663086
N-[1-[(3-cyano-5-methylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N-[(2-methylphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 117077939) is N-[(2-methylphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-[(2-methylphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-[(2-methylphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid) is Cc1ccccc1CNC(=O)c1n[nH]c2cc(-c3cn[nH]c3)ccc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N-[(2-methylphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is BYVZJUHXFXYPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O.2C2HF3O2/c1-12-4-2-3-5-14(12)9-20-19(25)18-16-7-6-13(8-17(16)23-24-18)15-10-21-22-11-15;2*3-2(4,5)1(6)7/h2-8,10-11H,9H2,1H3,(H,20,25)(H,21,22)(H,23,24);2*(H,6,7).
What are the key properties of N-[(2-methylphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
N-[(2-methylphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 559.42 g/mol, XLogP of 4.46, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 117077939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).