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

C12H16N4O2 — CID 113357186

IUPAC3,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCc1cnc(C(C)NC(=O)c2c(C)n[nH]c2C)o1
InChIInChI=1S/C12H16N4O2/c1-6-5-13-12(18-6)9(4)14-11(17)10-7(2)15-16-8(10)3/h5,9H,1-4H3,(H,14,17)(H,15,16)
InChIKeyDJMBTMUOAGSING-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.81
Rot. Bonds3

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

3,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 113357186) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID113357186
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name3,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCc1cnc(C(C)NC(=O)c2c(C)n[nH]c2C)o1
InChIInChI=1S/C12H16N4O2/c1-6-5-13-12(18-6)9(4)14-11(17)10-7(2)15-16-8(10)3/h5,9H,1-4H3,(H,14,17)(H,15,16)
InChIKeyDJMBTMUOAGSING-UHFFFAOYSA-N
XLogP1.81
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 114182522
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388094
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide
CID 106390070
N-[1-(2,5-dimethylphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61259565
1-cyclobutyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea
CID 103947062
4-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 103948932
6-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2-carboxamide
CID 103950214
6-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]-6-oxohexanoic acid
CID 106388731
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]butanoic acid
CID 43583226
3-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388092
tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate
CID 103947091
4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid
CID 106387752

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide (CID 113357186) is 3,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide is Cc1cnc(C(C)NC(=O)c2c(C)n[nH]c2C)o1.
What is the InChIKey of 3,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is DJMBTMUOAGSING-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-6-5-13-12(18-6)9(4)14-11(17)10-7(2)15-16-8(10)3/h5,9H,1-4H3,(H,14,17)(H,15,16).
What are the key properties of 3,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 113357186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).