4-chloro-1,5-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-3-carboxamide

C12H16ClN5O2 — CID 125165236

IUPAC4-chloro-1,5-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-3-carboxamide
SMILESCC[C@@H](NC(=O)c1nn(C)c(C)c1Cl)c1nc(C)no1
InChIInChI=1S/C12H16ClN5O2/c1-5-8(12-14-7(3)17-20-12)15-11(19)10-9(13)6(2)18(4)16-10/h8H,5H2,1-4H3,(H,15,19)/t8-/m1/s1
InChIKeyIALNEJWBOGDJCM-MRVPVSSYSA-N
MW297.75 g/mol
LogP1.95
Rot. Bonds4

About 4-chloro-1,5-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-3-carboxamide

4-chloro-1,5-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-3-carboxamide (PubChem CID 125165236) has the molecular formula C12H16ClN5O2 and a molecular weight of 297.75 g/mol. Its IUPAC name is 4-chloro-1,5-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1,5-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-3-carboxamide
PubChem CID125165236
Molecular FormulaC12H16ClN5O2
Molecular Weight297.75 g/mol
Exact Mass297.10
IUPAC Name4-chloro-1,5-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-3-carboxamide
SMILESCC[C@@H](NC(=O)c1nn(C)c(C)c1Cl)c1nc(C)no1
InChIInChI=1S/C12H16ClN5O2/c1-5-8(12-14-7(3)17-20-12)15-11(19)10-9(13)6(2)18(4)16-10/h8H,5H2,1-4H3,(H,15,19)/t8-/m1/s1
InChIKeyIALNEJWBOGDJCM-MRVPVSSYSA-N
XLogP1.95
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-1,5-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-3-carboxamide with MolForge

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Related Compounds

4-ethyl-2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazole-5-carboxamide
CID 118774250
4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide
CID 44823734
2-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid
CID 122107248
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 91769195
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 91792687
5-methoxy-1-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]indole-2-carboxamide
CID 97112460
4-[2-hydroxyethyl(methyl)amino]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 91760035
4-chloro-1,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide
CID 77080184
2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-3-carboxamide
CID 146083478
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-methylprop-2-enoxy)benzamide
CID 46993244
4-chloro-N,N-diethyl-1,5-dimethylpyrazole-3-carboxamide
CID 4770956
1-(cyclopentanecarbonyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxamide
CID 72884711

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,5-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1,5-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-3-carboxamide (CID 125165236) is 4-chloro-1,5-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1,5-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1,5-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-3-carboxamide is CC[C@@H](NC(=O)c1nn(C)c(C)c1Cl)c1nc(C)no1.
What is the InChIKey of 4-chloro-1,5-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-3-carboxamide?
The InChIKey is IALNEJWBOGDJCM-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16ClN5O2/c1-5-8(12-14-7(3)17-20-12)15-11(19)10-9(13)6(2)18(4)16-10/h8H,5H2,1-4H3,(H,15,19)/t8-/m1/s1.
What are the key properties of 4-chloro-1,5-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-3-carboxamide?
4-chloro-1,5-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-3-carboxamide has a molecular weight of 297.75 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,5-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-3-carboxamide is sourced from PubChem (CID 125165236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).