N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

C13H17N5O2 — CID 95124077

IUPACN-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCCC1=NO[C@@H](CNC(=O)c2cnn3ccn(C)c23)C1
InChIInChI=1S/C13H17N5O2/c1-3-9-6-10(20-16-9)7-14-12(19)11-8-15-18-5-4-17(2)13(11)18/h4-5,8,10H,3,6-7H2,1-2H3,(H,14,19)/t10-/m1/s1
InChIKeyNFXRBKNACMIOIY-SNVBAGLBSA-N
MW275.31 g/mol
LogP0.96
Rot. Bonds4

About N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 95124077) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound NameN-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID95124077
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCCC1=NO[C@@H](CNC(=O)c2cnn3ccn(C)c23)C1
InChIInChI=1S/C13H17N5O2/c1-3-9-6-10(20-16-9)7-14-12(19)11-8-15-18-5-4-17(2)13(11)18/h4-5,8,10H,3,6-7H2,1-2H3,(H,14,19)/t10-/m1/s1
InChIKeyNFXRBKNACMIOIY-SNVBAGLBSA-N
XLogP0.96
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-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-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (CID 95124077) is N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is CCC1=NO[C@@H](CNC(=O)c2cnn3ccn(C)c23)C1.
What is the InChIKey of N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is NFXRBKNACMIOIY-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-3-9-6-10(20-16-9)7-14-12(19)11-8-15-18-5-4-17(2)13(11)18/h4-5,8,10H,3,6-7H2,1-2H3,(H,14,19)/t10-/m1/s1.
What are the key properties of N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 95124077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).