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

C16H25N5O2 — CID 46987399

IUPACN-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)N(CC)Cc2noc(CC(C)C)n2)n[nH]1
InChIInChI=1S/C16H25N5O2/c1-5-7-12-9-13(19-18-12)16(22)21(6-2)10-14-17-15(23-20-14)8-11(3)4/h9,11H,5-8,10H2,1-4H3,(H,18,19)
InChIKeyOISIHRSGYIVKRE-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.61
Rot. Bonds8

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

N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 46987399) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID46987399
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC NameN-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)N(CC)Cc2noc(CC(C)C)n2)n[nH]1
InChIInChI=1S/C16H25N5O2/c1-5-7-12-9-13(19-18-12)16(22)21(6-2)10-14-17-15(23-20-14)8-11(3)4/h9,11H,5-8,10H2,1-4H3,(H,18,19)
InChIKeyOISIHRSGYIVKRE-UHFFFAOYSA-N
XLogP2.61
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-propyl-1H-pyrazole-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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 46987399) is N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)N(CC)Cc2noc(CC(C)C)n2)n[nH]1.
What is the InChIKey of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is OISIHRSGYIVKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-5-7-12-9-13(19-18-12)16(22)21(6-2)10-14-17-15(23-20-14)8-11(3)4/h9,11H,5-8,10H2,1-4H3,(H,18,19).
What are the key properties of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide?
N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 46987399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).