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

C12H14ClN5O2 — CID 125436990

IUPAC4-chloro-N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide
SMILESC[C@H](NC(=O)c1c(Cl)cnn1C)c1nc(C2CC2)no1
InChIInChI=1S/C12H14ClN5O2/c1-6(12-16-10(17-20-12)7-3-4-7)15-11(19)9-8(13)5-14-18(9)2/h5-7H,3-4H2,1-2H3,(H,15,19)/t6-/m0/s1
InChIKeyCCOZNDCABQAXGH-LURJTMIESA-N
MW295.73 g/mol
LogP1.82
Rot. Bonds4

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

4-chloro-N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide (PubChem CID 125436990) has the molecular formula C12H14ClN5O2 and a molecular weight of 295.73 g/mol. Its IUPAC name is 4-chloro-N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide
PubChem CID125436990
Molecular FormulaC12H14ClN5O2
Molecular Weight295.73 g/mol
Exact Mass295.08
IUPAC Name4-chloro-N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide
SMILESC[C@H](NC(=O)c1c(Cl)cnn1C)c1nc(C2CC2)no1
InChIInChI=1S/C12H14ClN5O2/c1-6(12-16-10(17-20-12)7-3-4-7)15-11(19)9-8(13)5-14-18(9)2/h5-7H,3-4H2,1-2H3,(H,15,19)/t6-/m0/s1
InChIKeyCCOZNDCABQAXGH-LURJTMIESA-N
XLogP1.82
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-1-methylpyrazole-5-carboxamide
CID 138034358
4-chloro-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 122566894
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide
CID 125159643
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]furan-3-carboxamide
CID 122564099
N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 125440794
1-[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 95960904
1-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 97444345
5-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid
CID 126778226
N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 75375403
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 125445797
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 125439668
N-[(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 96517898

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide (CID 125436990) is 4-chloro-N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide is C[C@H](NC(=O)c1c(Cl)cnn1C)c1nc(C2CC2)no1.
What is the InChIKey of 4-chloro-N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is CCOZNDCABQAXGH-LURJTMIESA-N. The full InChI is InChI=1S/C12H14ClN5O2/c1-6(12-16-10(17-20-12)7-3-4-7)15-11(19)9-8(13)5-14-18(9)2/h5-7H,3-4H2,1-2H3,(H,15,19)/t6-/m0/s1.
What are the key properties of 4-chloro-N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide?
4-chloro-N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 295.73 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 125436990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).