N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide

C18H21N5O2 — CID 70763824

IUPACN-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide
SMILESCN(Cc1ccc2nonc2c1)C(=O)c1cn[nH]c1C1CCCCC1
InChIInChI=1S/C18H21N5O2/c1-23(11-12-7-8-15-16(9-12)22-25-21-15)18(24)14-10-19-20-17(14)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,19,20)
InChIKeyBANDUBFOQVNANG-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.27
Rot. Bonds4

About N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide

N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 70763824) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID70763824
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide
SMILESCN(Cc1ccc2nonc2c1)C(=O)c1cn[nH]c1C1CCCCC1
InChIInChI=1S/C18H21N5O2/c1-23(11-12-7-8-15-16(9-12)22-25-21-15)18(24)14-10-19-20-17(14)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,19,20)
InChIKeyBANDUBFOQVNANG-UHFFFAOYSA-N
XLogP3.27
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclohexyl-N-methyl-1H-pyrazole-4-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-(2,1,3-benzoxadiazol-5-yl)-3-methyl-1-oxobutan-2-yl]-1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 70684699
N-(2,1,3-benzoxadiazol-5-ylmethyl)-3-(4-{[(3-methylphenyl)acetyl]amino}-1H-pyrazol-1-yl)benzamide
CID 26276758
N-[3-(1H-pyrazol-5-yl)phenyl]-2H-benzotriazole-5-carboxamide
CID 32201302
4-(2,1,3-benzoxadiazol-5-ylcarbonyl)-1-(1H-indazol-5-yl)-2-piperazinone
CID 70704372
(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 96375337
3-(2,1,3-benzoxadiazol-5-yl)-N-[(3R,5S)-5-[(2E)-3-fluoro-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]-1-methylpiperidin-3-yl]-1H-indazole-5-carboxamide
CID 144302059
N-(2-cyclopropyl-4-fluorophenyl)-5-methyl-N-(4-nitro-2,1,3-benzoxadiazol-7-yl)-1H-pyrazole-4-carboxamide
CID 176367293
N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 16302170
2H-benzotriazol-5-yl-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56756579
N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2H-benzotriazole-5-carboxamide
CID 60525314
N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-(3-fluorophenyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 70758077
2H-benzotriazol-5-yl-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95223710

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide (CID 70763824) is N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide is CN(Cc1ccc2nonc2c1)C(=O)c1cn[nH]c1C1CCCCC1.
What is the InChIKey of N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is BANDUBFOQVNANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-23(11-12-7-8-15-16(9-12)22-25-21-15)18(24)14-10-19-20-17(14)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,19,20).
What are the key properties of N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide?
N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 70763824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).