N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide

C11H15N5O2 — CID 99942965

IUPACN-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCC(C)c1noc([C@@H](C)NC(=O)c2cn[nH]c2)n1
InChIInChI=1S/C11H15N5O2/c1-6(2)9-15-11(18-16-9)7(3)14-10(17)8-4-12-13-5-8/h4-7H,1-3H3,(H,12,13)(H,14,17)/t7-/m1/s1
InChIKeyAPJNVTUPPMWRTH-SSDOTTSWSA-N
MW249.27 g/mol
LogP1.41
Rot. Bonds4

About N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide

N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 99942965) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID99942965
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC NameN-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCC(C)c1noc([C@@H](C)NC(=O)c2cn[nH]c2)n1
InChIInChI=1S/C11H15N5O2/c1-6(2)9-15-11(18-16-9)7(3)14-10(17)8-4-12-13-5-8/h4-7H,1-3H3,(H,12,13)(H,14,17)/t7-/m1/s1
InChIKeyAPJNVTUPPMWRTH-SSDOTTSWSA-N
XLogP1.41
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide with MolForge

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Related Compounds

5-methyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 131900670
N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 20785130
3-cyano-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 95200344
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide
CID 79252748
5-phenyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 131929435
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 61149421
N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxypyrimidine-5-carboxamide
CID 119059740
2-amino-5-hydroxy-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 131921480
3-(2-acetylphenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 126447741
N-(1-hydroxy-4-methylpentan-2-yl)-1H-pyrazole-4-carboxamide
CID 61245282
N-(1-ethylsulfanylpropan-2-yl)-1H-pyrazole-4-carboxamide
CID 115662264
N-[1-(2-chlorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 60786137

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide (CID 99942965) is N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide is CC(C)c1noc([C@@H](C)NC(=O)c2cn[nH]c2)n1.
What is the InChIKey of N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is APJNVTUPPMWRTH-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-6(2)9-15-11(18-16-9)7(3)14-10(17)8-4-12-13-5-8/h4-7H,1-3H3,(H,12,13)(H,14,17)/t7-/m1/s1.
What are the key properties of N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide?
N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 99942965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).