N-(5-methyl-1,2-oxazol-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

C11H14N4O2 — CID 47246125

IUPACN-(5-methyl-1,2-oxazol-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(C(C)C)[nH]n2)no1
InChIInChI=1S/C11H14N4O2/c1-6(2)8-5-9(14-13-8)11(16)12-10-4-7(3)17-15-10/h4-6H,1-3H3,(H,13,14)(H,12,15,16)
InChIKeyFYUXTOFCEMQBGB-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.08
Rot. Bonds3

About N-(5-methyl-1,2-oxazol-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 47246125) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID47246125
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(C(C)C)[nH]n2)no1
InChIInChI=1S/C11H14N4O2/c1-6(2)8-5-9(14-13-8)11(16)12-10-4-7(3)17-15-10/h4-6H,1-3H3,(H,13,14)(H,12,15,16)
InChIKeyFYUXTOFCEMQBGB-UHFFFAOYSA-N
XLogP2.08
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 47246125) is N-(5-methyl-1,2-oxazol-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is Cc1cc(NC(=O)c2cc(C(C)C)[nH]n2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is FYUXTOFCEMQBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-6(2)8-5-9(14-13-8)11(16)12-10-4-7(3)17-15-10/h4-6H,1-3H3,(H,13,14)(H,12,15,16).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 234.26 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47246125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).