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

C11H12ClN5O2 — CID 122566894

IUPAC4-chloro-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCC(NC(=O)c1[nH]ncc1Cl)c1nc(C2CC2)no1
InChIInChI=1S/C11H12ClN5O2/c1-5(11-15-9(17-19-11)6-2-3-6)14-10(18)8-7(12)4-13-16-8/h4-6H,2-3H2,1H3,(H,13,16)(H,14,18)
InChIKeyOPYBHICEGYRIKF-UHFFFAOYSA-N
MW281.70 g/mol
LogP1.81
Rot. Bonds4

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

4-chloro-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 122566894) has the molecular formula C11H12ClN5O2 and a molecular weight of 281.70 g/mol. Its IUPAC name is 4-chloro-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID122566894
Molecular FormulaC11H12ClN5O2
Molecular Weight281.70 g/mol
Exact Mass281.07
IUPAC Name4-chloro-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCC(NC(=O)c1[nH]ncc1Cl)c1nc(C2CC2)no1
InChIInChI=1S/C11H12ClN5O2/c1-5(11-15-9(17-19-11)6-2-3-6)14-10(18)8-7(12)4-13-16-8/h4-6H,2-3H2,1H3,(H,13,16)(H,14,18)
InChIKeyOPYBHICEGYRIKF-UHFFFAOYSA-N
XLogP1.81
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 125436990
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]furan-3-carboxamide
CID 122564099
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide
CID 125159643
4-chloro-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 17026858
4-chloro-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-1-methylpyrazole-5-carboxamide
CID 138034358
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 125439668
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide
CID 91797778
2-(3-chloro-4-fluorophenoxy)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 91771175
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119817375
5-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid
CID 126778226
1-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 97444345
N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 125440794

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide (CID 122566894) is 4-chloro-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide is CC(NC(=O)c1[nH]ncc1Cl)c1nc(C2CC2)no1.
What is the InChIKey of 4-chloro-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is OPYBHICEGYRIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O2/c1-5(11-15-9(17-19-11)6-2-3-6)14-10(18)8-7(12)4-13-16-8/h4-6H,2-3H2,1H3,(H,13,16)(H,14,18).
What are the key properties of 4-chloro-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide?
4-chloro-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 281.70 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 122566894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).