N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide

C17H13F3N6O2 — CID 3765272

IUPACN-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2cnn(Cn3nnc4ccccc43)c2)c(C(F)(F)F)o1
InChIInChI=1S/C17H13F3N6O2/c1-10-6-12(15(28-10)17(18,19)20)16(27)22-11-7-21-25(8-11)9-26-14-5-3-2-4-13(14)23-24-26/h2-8H,9H2,1H3,(H,22,27)
InChIKeyARYNCMCNBIJZIP-UHFFFAOYSA-N
MW390.33 g/mol
LogP3.31
Rot. Bonds4

About N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide

N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide (PubChem CID 3765272) has the molecular formula C17H13F3N6O2 and a molecular weight of 390.33 g/mol. Its IUPAC name is N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide
PubChem CID3765272
Molecular FormulaC17H13F3N6O2
Molecular Weight390.33 g/mol
Exact Mass390.11
IUPAC NameN-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2cnn(Cn3nnc4ccccc43)c2)c(C(F)(F)F)o1
InChIInChI=1S/C17H13F3N6O2/c1-10-6-12(15(28-10)17(18,19)20)16(27)22-11-7-21-25(8-11)9-26-14-5-3-2-4-13(14)23-24-26/h2-8H,9H2,1H3,(H,22,27)
InChIKeyARYNCMCNBIJZIP-UHFFFAOYSA-N
XLogP3.31
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(3-methylindol-1-yl)propanamide
CID 3858105
[1-[[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl] N-phenylcarbamate
CID 4679697
N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 3762112
methyl (1S,6R)-6-[[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 74224833
N-(1-benzylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide
CID 35761599
1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(2-bromophenyl)thiourea
CID 3834937
(2R,3R)-N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 74225499
2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1-benzofuran-5-carboxamide
CID 134703092
N-(1-ethylpyrazol-4-yl)-2-methylbenzamide
CID 51078638
2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]furan-3-carboxamide
CID 35761745
2-bromo-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 47267940
N-[4-(benzotriazol-1-ylmethyl)phenyl]-2-oxochromene-3-carboxamide
CID 3734963

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide?
The IUPAC name of N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide (CID 3765272) is N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide.
What is the SMILES notation for N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide?
The canonical SMILES for N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide is Cc1cc(C(=O)Nc2cnn(Cn3nnc4ccccc43)c2)c(C(F)(F)F)o1.
What is the InChIKey of N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide?
The InChIKey is ARYNCMCNBIJZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N6O2/c1-10-6-12(15(28-10)17(18,19)20)16(27)22-11-7-21-25(8-11)9-26-14-5-3-2-4-13(14)23-24-26/h2-8H,9H2,1H3,(H,22,27).
What are the key properties of N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide?
N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide has a molecular weight of 390.33 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide is sourced from PubChem (CID 3765272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).