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

C12H17N5O2 — CID 35527742

IUPACN-ethyl-1,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide
SMILESCCN(Cc1nonc1C)C(=O)c1cn(C)nc1C
InChIInChI=1S/C12H17N5O2/c1-5-17(7-11-9(3)14-19-15-11)12(18)10-6-16(4)13-8(10)2/h6H,5,7H2,1-4H3
InChIKeyQRELJHVNVWQSRN-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.08
Rot. Bonds4

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

N-ethyl-1,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide (PubChem CID 35527742) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-ethyl-1,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide
PubChem CID35527742
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN-ethyl-1,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide
SMILESCCN(Cc1nonc1C)C(=O)c1cn(C)nc1C
InChIInChI=1S/C12H17N5O2/c1-5-17(7-11-9(3)14-19-15-11)12(18)10-6-16(4)13-8(10)2/h6H,5,7H2,1-4H3
InChIKeyQRELJHVNVWQSRN-UHFFFAOYSA-N
XLogP1.08
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-ethyl-1,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide (CID 35527742) is N-ethyl-1,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-1,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-1,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide is CCN(Cc1nonc1C)C(=O)c1cn(C)nc1C.
What is the InChIKey of N-ethyl-1,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is QRELJHVNVWQSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-5-17(7-11-9(3)14-19-15-11)12(18)10-6-16(4)13-8(10)2/h6H,5,7H2,1-4H3.
What are the key properties of N-ethyl-1,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide?
N-ethyl-1,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 35527742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).