N-(2,1,3-benzoxadiazol-5-ylmethyl)-3-methyl-1-propylpyrazole-4-carboxamide

C15H17N5O2 — CID 72855300

IUPACN-(2,1,3-benzoxadiazol-5-ylmethyl)-3-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NCc2ccc3nonc3c2)c(C)n1
InChIInChI=1S/C15H17N5O2/c1-3-6-20-9-12(10(2)17-20)15(21)16-8-11-4-5-13-14(7-11)19-22-18-13/h4-5,7,9H,3,6,8H2,1-2H3,(H,16,21)
InChIKeyLDCPJYAJYKIMCT-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.07
Rot. Bonds5

About N-(2,1,3-benzoxadiazol-5-ylmethyl)-3-methyl-1-propylpyrazole-4-carboxamide

N-(2,1,3-benzoxadiazol-5-ylmethyl)-3-methyl-1-propylpyrazole-4-carboxamide (PubChem CID 72855300) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-5-ylmethyl)-3-methyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-3-methyl-1-propylpyrazole-4-carboxamide
PubChem CID72855300
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-3-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NCc2ccc3nonc3c2)c(C)n1
InChIInChI=1S/C15H17N5O2/c1-3-6-20-9-12(10(2)17-20)15(21)16-8-11-4-5-13-14(7-11)19-22-18-13/h4-5,7,9H,3,6,8H2,1-2H3,(H,16,21)
InChIKeyLDCPJYAJYKIMCT-UHFFFAOYSA-N
XLogP2.07
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 35763955
1-ethyl-N-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 4157405
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide
CID 72927235
N-[4-[2-(2,1,3-benzoxadiazol-5-ylmethylamino)-2-oxoethyl]phenyl]butanamide
CID 46990871
N-(2,1,3-benzoxadiazol-5-ylmethyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 91762133
3-methyl-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-1-propylpyrazole-4-carboxamide
CID 46956962
3-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 107231636
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-methyl-1-propylpyrazole-4-carboxamide
CID 131916562
N-(2,1,3-benzoxadiazol-5-ylmethyl)-4-ethynyl-3-methylbenzamide
CID 166387692
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-methyl-3-(pyridin-3-ylmethylamino)benzamide
CID 50979648
N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474824
3-methyl-N-[(1R,2S)-2-phenylcyclopropyl]-1-propylpyrazole-4-carboxamide
CID 74242834

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-3-methyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-3-methyl-1-propylpyrazole-4-carboxamide (CID 72855300) is N-(2,1,3-benzoxadiazol-5-ylmethyl)-3-methyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-5-ylmethyl)-3-methyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-5-ylmethyl)-3-methyl-1-propylpyrazole-4-carboxamide is CCCn1cc(C(=O)NCc2ccc3nonc3c2)c(C)n1.
What is the InChIKey of N-(2,1,3-benzoxadiazol-5-ylmethyl)-3-methyl-1-propylpyrazole-4-carboxamide?
The InChIKey is LDCPJYAJYKIMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-3-6-20-9-12(10(2)17-20)15(21)16-8-11-4-5-13-14(7-11)19-22-18-13/h4-5,7,9H,3,6,8H2,1-2H3,(H,16,21).
What are the key properties of N-(2,1,3-benzoxadiazol-5-ylmethyl)-3-methyl-1-propylpyrazole-4-carboxamide?
N-(2,1,3-benzoxadiazol-5-ylmethyl)-3-methyl-1-propylpyrazole-4-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-5-ylmethyl)-3-methyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 72855300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).