N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide

C13H17N5O2 — CID 125159643

IUPACN-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N[C@@H](C)c2nc(C3CC3)no2)cn1
InChIInChI=1S/C13H17N5O2/c1-3-18-7-10(6-14-18)12(19)15-8(2)13-16-11(17-20-13)9-4-5-9/h6-9H,3-5H2,1-2H3,(H,15,19)/t8-/m0/s1
InChIKeyZVDREXCITGKKTL-QMMMGPOBSA-N
MW275.31 g/mol
LogP1.65
Rot. Bonds5

About N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide

N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide (PubChem CID 125159643) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide
PubChem CID125159643
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N[C@@H](C)c2nc(C3CC3)no2)cn1
InChIInChI=1S/C13H17N5O2/c1-3-18-7-10(6-14-18)12(19)15-8(2)13-16-11(17-20-13)9-4-5-9/h6-9H,3-5H2,1-2H3,(H,15,19)/t8-/m0/s1
InChIKeyZVDREXCITGKKTL-QMMMGPOBSA-N
XLogP1.65
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]furan-3-carboxamide
CID 122564099
1-ethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 19281043
4-chloro-N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 125436990
N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 125440794
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 125439668
4-chloro-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 122566894
1-[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 95960904
1-ethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide
CID 45179322
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 125445797
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 119817384
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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide (CID 125159643) is N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide is CCn1cc(C(=O)N[C@@H](C)c2nc(C3CC3)no2)cn1.
What is the InChIKey of N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide?
The InChIKey is ZVDREXCITGKKTL-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-3-18-7-10(6-14-18)12(19)15-8(2)13-16-11(17-20-13)9-4-5-9/h6-9H,3-5H2,1-2H3,(H,15,19)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide?
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 125159643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).