N-[(1-methylpyrazol-3-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

C12H16N6O2 — CID 102742485

IUPACN-[(1-methylpyrazol-3-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCn1ccc(CNC(=O)c2noc(C3CCCN3)n2)n1
InChIInChI=1S/C12H16N6O2/c1-18-6-4-8(16-18)7-14-11(19)10-15-12(20-17-10)9-3-2-5-13-9/h4,6,9,13H,2-3,5,7H2,1H3,(H,14,19)
InChIKeyQTLQROZWJJTUCO-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.16
Rot. Bonds4

About N-[(1-methylpyrazol-3-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

N-[(1-methylpyrazol-3-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102742485) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102742485
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC NameN-[(1-methylpyrazol-3-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCn1ccc(CNC(=O)c2noc(C3CCCN3)n2)n1
InChIInChI=1S/C12H16N6O2/c1-18-6-4-8(16-18)7-14-11(19)10-15-12(20-17-10)9-3-2-5-13-9/h4,6,9,13H,2-3,5,7H2,1H3,(H,14,19)
InChIKeyQTLQROZWJJTUCO-UHFFFAOYSA-N
XLogP0.16
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742509
N-[(1,5-dimethylpyrrol-2-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742136
N-[(5-methylpyrazin-2-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742280
N-(pyridazin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 106895984
N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970775
N-(2-methylpyrazol-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970897
5-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide
CID 104970819
N-(3-pyrazol-1-ylpropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970911
3-hydroxy-3-methyl-4-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
CID 102742366
N-(2-pyridin-4-ylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742148
5-pyrrolidin-2-yl-N-(thian-4-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 104971074
N-(2-pyridin-2-ylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971284

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 102742485) is N-[(1-methylpyrazol-3-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is Cn1ccc(CNC(=O)c2noc(C3CCCN3)n2)n1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is QTLQROZWJJTUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-18-6-4-8(16-18)7-14-11(19)10-15-12(20-17-10)9-3-2-5-13-9/h4,6,9,13H,2-3,5,7H2,1H3,(H,14,19).
What are the key properties of N-[(1-methylpyrazol-3-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-[(1-methylpyrazol-3-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102742485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).