N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-ethylbutanediamide

C18H24N4O2 — CID 146087761

IUPACN'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-ethylbutanediamide
SMILESCCNC(=O)CCC(=O)Nc1cccc(Cn2nc(C)cc2C)c1
InChIInChI=1S/C18H24N4O2/c1-4-19-17(23)8-9-18(24)20-16-7-5-6-15(11-16)12-22-14(3)10-13(2)21-22/h5-7,10-11H,4,8-9,12H2,1-3H3,(H,19,23)(H,20,24)
InChIKeySKGLNZBFKLNPAZ-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.40
Rot. Bonds7

About N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-ethylbutanediamide

N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-ethylbutanediamide (PubChem CID 146087761) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-ethylbutanediamide.

Molecular Properties

Compound NameN'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-ethylbutanediamide
PubChem CID146087761
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-ethylbutanediamide
SMILESCCNC(=O)CCC(=O)Nc1cccc(Cn2nc(C)cc2C)c1
InChIInChI=1S/C18H24N4O2/c1-4-19-17(23)8-9-18(24)20-16-7-5-6-15(11-16)12-22-14(3)10-13(2)21-22/h5-7,10-11H,4,8-9,12H2,1-3H3,(H,19,23)(H,20,24)
InChIKeySKGLNZBFKLNPAZ-UHFFFAOYSA-N
XLogP2.40
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromo-3-methylpyrazol-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]propanamide
CID 19565653
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetamide
CID 19525235
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519175
trans-(1S,2S)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 95617250
N-[3-(aminomethyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)butanamide
CID 16782185
1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(2R)-2-hydroxy-3-methylbutyl]urea
CID 95775635
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 19515989
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(3-nitropyrazol-1-yl)propanamide
CID 19565922
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(propanoylamino)phenyl]benzamide
CID 48985971
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetamide
CID 19520059
1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[[2-(propoxymethyl)phenyl]methyl]urea
CID 86902383
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19474017

Frequently Asked Questions

What is the IUPAC name of N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-ethylbutanediamide?
The IUPAC name of N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-ethylbutanediamide (CID 146087761) is N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-ethylbutanediamide.
What is the SMILES notation for N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-ethylbutanediamide?
The canonical SMILES for N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-ethylbutanediamide is CCNC(=O)CCC(=O)Nc1cccc(Cn2nc(C)cc2C)c1.
What is the InChIKey of N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-ethylbutanediamide?
The InChIKey is SKGLNZBFKLNPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-4-19-17(23)8-9-18(24)20-16-7-5-6-15(11-16)12-22-14(3)10-13(2)21-22/h5-7,10-11H,4,8-9,12H2,1-3H3,(H,19,23)(H,20,24).
What are the key properties of N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-ethylbutanediamide?
N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-ethylbutanediamide has a molecular weight of 328.42 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-ethylbutanediamide is sourced from PubChem (CID 146087761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).