N-(1H-indazol-5-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

C19H14F3N5O — CID 25138052

IUPACN-(1H-indazol-5-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3[nH]ncc3c2)nn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H14F3N5O/c1-11-7-17(18(28)24-14-5-6-16-12(8-14)10-23-25-16)26-27(11)15-4-2-3-13(9-15)19(20,21)22/h2-10H,1H3,(H,23,25)(H,24,28)
InChIKeyJVZLCCIDXABHFQ-UHFFFAOYSA-N
MW385.35 g/mol
LogP4.33
Rot. Bonds3

About N-(1H-indazol-5-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

N-(1H-indazol-5-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 25138052) has the molecular formula C19H14F3N5O and a molecular weight of 385.35 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
PubChem CID25138052
Molecular FormulaC19H14F3N5O
Molecular Weight385.35 g/mol
Exact Mass385.12
IUPAC NameN-(1H-indazol-5-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3[nH]ncc3c2)nn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H14F3N5O/c1-11-7-17(18(28)24-14-5-6-16-12(8-14)10-23-25-16)26-27(11)15-4-2-3-13(9-15)19(20,21)22/h2-10H,1H3,(H,23,25)(H,24,28)
InChIKeyJVZLCCIDXABHFQ-UHFFFAOYSA-N
XLogP4.33
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of N-(1H-indazol-5-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (CID 25138052) is N-(1H-indazol-5-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(1H-indazol-5-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc3[nH]ncc3c2)nn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(1H-indazol-5-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is JVZLCCIDXABHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O/c1-11-7-17(18(28)24-14-5-6-16-12(8-14)10-23-25-16)26-27(11)15-4-2-3-13(9-15)19(20,21)22/h2-10H,1H3,(H,23,25)(H,24,28).
What are the key properties of N-(1H-indazol-5-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
N-(1H-indazol-5-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 385.35 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 25138052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).