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

C10H13N5O2 — CID 115330671

IUPAC5-amino-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(CNC(=O)c2cnn(C)c2N)no1
InChIInChI=1S/C10H13N5O2/c1-6-3-7(14-17-6)4-12-10(16)8-5-13-15(2)9(8)11/h3,5H,4,11H2,1-2H3,(H,12,16)
InChIKeyMQVQBTWGOCCDCK-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.23
Rot. Bonds3

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

5-amino-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide (PubChem CID 115330671) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 5-amino-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide
PubChem CID115330671
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name5-amino-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(CNC(=O)c2cnn(C)c2N)no1
InChIInChI=1S/C10H13N5O2/c1-6-3-7(14-17-6)4-12-10(16)8-5-13-15(2)9(8)11/h3,5H,4,11H2,1-2H3,(H,12,16)
InChIKeyMQVQBTWGOCCDCK-UHFFFAOYSA-N
XLogP0.23
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-nitrobenzamide
CID 115548682
2-amino-4-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 63110385
2-amino-4-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 79722571
5-amino-N-benzyl-1-methylpyrazole-4-carboxamide
CID 13174826
5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 112671836
6-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide
CID 62160023
2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-nitrobenzamide
CID 115677738
2,5-dichloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728420
2-hydroxy-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47398917
5-amino-1-methyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 114957256
2-amino-3,5-dimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 115950623
5-amino-1-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide
CID 113288594

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide (CID 115330671) is 5-amino-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide is Cc1cc(CNC(=O)c2cnn(C)c2N)no1.
What is the InChIKey of 5-amino-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is MQVQBTWGOCCDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-6-3-7(14-17-6)4-12-10(16)8-5-13-15(2)9(8)11/h3,5H,4,11H2,1-2H3,(H,12,16).
What are the key properties of 5-amino-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide?
5-amino-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 235.25 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 115330671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).