N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide

C15H14F3N5O — CID 167981258

IUPACN-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide
SMILESC[C@@H](NC(=O)c1n[nH]c2ccc(C(F)(F)F)cc12)c1ccn(C)n1
InChIInChI=1S/C15H14F3N5O/c1-8(11-5-6-23(2)22-11)19-14(24)13-10-7-9(15(16,17)18)3-4-12(10)20-21-13/h3-8H,1-2H3,(H,19,24)(H,20,21)/t8-/m1/s1
InChIKeyVBYKZJNBZKXSQG-MRVPVSSYSA-N
MW337.31 g/mol
LogP2.81
Rot. Bonds3

About N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide

N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide (PubChem CID 167981258) has the molecular formula C15H14F3N5O and a molecular weight of 337.31 g/mol. Its IUPAC name is N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide
PubChem CID167981258
Molecular FormulaC15H14F3N5O
Molecular Weight337.31 g/mol
Exact Mass337.12
IUPAC NameN-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide
SMILESC[C@@H](NC(=O)c1n[nH]c2ccc(C(F)(F)F)cc12)c1ccn(C)n1
InChIInChI=1S/C15H14F3N5O/c1-8(11-5-6-23(2)22-11)19-14(24)13-10-7-9(15(16,17)18)3-4-12(10)20-21-13/h3-8H,1-2H3,(H,19,24)(H,20,21)/t8-/m1/s1
InChIKeyVBYKZJNBZKXSQG-MRVPVSSYSA-N
XLogP2.81
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 44821551
N-[(2S)-3,3-difluorobutan-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 158269993
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide
CID 67273538
N-[1-(1-methylpyrazol-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 155963735
N-(2-azabicyclo[3.1.0]hexan-4-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide
CID 167793305
N-[(2S)-3,3-difluorobutan-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-indazole-3-carboxamide
CID 158874366
N-(1-hydroxypropan-2-yl)-5-methyl-1H-indazole-3-carboxamide
CID 110888660
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide
CID 167813104
5-amino-N-(4-hydroxybutan-2-yl)-1H-indazole-3-carboxamide
CID 83176979
5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indazole-3-carbohydrazide
CID 78869090
1-(1-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 65200458
4-methoxy-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 55867730

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide (CID 167981258) is N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide is C[C@@H](NC(=O)c1n[nH]c2ccc(C(F)(F)F)cc12)c1ccn(C)n1.
What is the InChIKey of N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide?
The InChIKey is VBYKZJNBZKXSQG-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H14F3N5O/c1-8(11-5-6-23(2)22-11)19-14(24)13-10-7-9(15(16,17)18)3-4-12(10)20-21-13/h3-8H,1-2H3,(H,19,24)(H,20,21)/t8-/m1/s1.
What are the key properties of N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide?
N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide has a molecular weight of 337.31 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 167981258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).