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

C10H12ClN5O2 — CID 17082960

IUPAC3-[(4-chloropyrazol-1-yl)methyl]-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide
SMILESCC(C)NC(=O)c1nc(Cn2cc(Cl)cn2)no1
InChIInChI=1S/C10H12ClN5O2/c1-6(2)13-9(17)10-14-8(15-18-10)5-16-4-7(11)3-12-16/h3-4,6H,5H2,1-2H3,(H,13,17)
InChIKeyYDZIAANDSKFPQF-UHFFFAOYSA-N
MW269.69 g/mol
LogP1.11
Rot. Bonds4

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

3-[(4-chloropyrazol-1-yl)methyl]-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 17082960) has the molecular formula C10H12ClN5O2 and a molecular weight of 269.69 g/mol. Its IUPAC name is 3-[(4-chloropyrazol-1-yl)methyl]-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4-chloropyrazol-1-yl)methyl]-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide
PubChem CID17082960
Molecular FormulaC10H12ClN5O2
Molecular Weight269.69 g/mol
Exact Mass269.07
IUPAC Name3-[(4-chloropyrazol-1-yl)methyl]-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide
SMILESCC(C)NC(=O)c1nc(Cn2cc(Cl)cn2)no1
InChIInChI=1S/C10H12ClN5O2/c1-6(2)13-9(17)10-14-8(15-18-10)5-16-4-7(11)3-12-16/h3-4,6H,5H2,1-2H3,(H,13,17)
InChIKeyYDZIAANDSKFPQF-UHFFFAOYSA-N
XLogP1.11
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloropyrazol-1-yl)methyl]-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[(4-chloropyrazol-1-yl)methyl]-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide (CID 17082960) is 3-[(4-chloropyrazol-1-yl)methyl]-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[(4-chloropyrazol-1-yl)methyl]-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[(4-chloropyrazol-1-yl)methyl]-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide is CC(C)NC(=O)c1nc(Cn2cc(Cl)cn2)no1.
What is the InChIKey of 3-[(4-chloropyrazol-1-yl)methyl]-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is YDZIAANDSKFPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O2/c1-6(2)13-9(17)10-14-8(15-18-10)5-16-4-7(11)3-12-16/h3-4,6H,5H2,1-2H3,(H,13,17).
What are the key properties of 3-[(4-chloropyrazol-1-yl)methyl]-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide?
3-[(4-chloropyrazol-1-yl)methyl]-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 269.69 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloropyrazol-1-yl)methyl]-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 17082960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).