N,5-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-4-carboxamide

C13H19N5O2 — CID 28769271

IUPACN,5-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)N(C)Cc1nc(CC(C)C)no1
InChIInChI=1S/C13H19N5O2/c1-8(2)5-11-15-12(20-17-11)7-18(4)13(19)10-6-14-16-9(10)3/h6,8H,5,7H2,1-4H3,(H,14,16)
InChIKeyNDBNBYOMLHOXHC-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.57
Rot. Bonds5

About N,5-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-4-carboxamide

N,5-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 28769271) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is N,5-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID28769271
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC NameN,5-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)N(C)Cc1nc(CC(C)C)no1
InChIInChI=1S/C13H19N5O2/c1-8(2)5-11-15-12(20-17-11)7-18(4)13(19)10-6-14-16-9(10)3/h6,8H,5,7H2,1-4H3,(H,14,16)
InChIKeyNDBNBYOMLHOXHC-UHFFFAOYSA-N
XLogP1.57
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N,5-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-4-carboxamide (CID 28769271) is N,5-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)N(C)Cc1nc(CC(C)C)no1.
What is the InChIKey of N,5-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is NDBNBYOMLHOXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-8(2)5-11-15-12(20-17-11)7-18(4)13(19)10-6-14-16-9(10)3/h6,8H,5,7H2,1-4H3,(H,14,16).
What are the key properties of N,5-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-4-carboxamide?
N,5-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 28769271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).