3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide

C24H30N4O2 — CID 60581004

IUPAC3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
SMILESCc1cc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)ccc1Oc1cccnc1
InChIInChI=1S/C24H30N4O2/c1-16(2)15-28-19(5)22(18(4)27-28)9-11-24(29)26-20-8-10-23(17(3)13-20)30-21-7-6-12-25-14-21/h6-8,10,12-14,16H,9,11,15H2,1-5H3,(H,26,29)
InChIKeyOHTWSPFTNCGKNT-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.22
Rot. Bonds8

About 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide (PubChem CID 60581004) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
PubChem CID60581004
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
SMILESCc1cc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)ccc1Oc1cccnc1
InChIInChI=1S/C24H30N4O2/c1-16(2)15-28-19(5)22(18(4)27-28)9-11-24(29)26-20-8-10-23(17(3)13-20)30-21-7-6-12-25-14-21/h6-8,10,12-14,16H,9,11,15H2,1-5H3,(H,26,29)
InChIKeyOHTWSPFTNCGKNT-UHFFFAOYSA-N
XLogP5.22
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581147
3-(4-methylphenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581343
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-ethylphenyl)propanamide
CID 8530903
3-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]benzamide
CID 51237592
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide
CID 37065850
N-(3-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 9077447
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-indazol-5-yl)propanamide
CID 134050842
7-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)heptanamide
CID 119864464
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-quinolin-3-ylpropanamide
CID 52553690
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide
CID 56507565
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 112827777
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581120

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide (CID 60581004) is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide is Cc1cc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)ccc1Oc1cccnc1.
What is the InChIKey of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide?
The InChIKey is OHTWSPFTNCGKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-16(2)15-28-19(5)22(18(4)27-28)9-11-24(29)26-20-8-10-23(17(3)13-20)30-21-7-6-12-25-14-21/h6-8,10,12-14,16H,9,11,15H2,1-5H3,(H,26,29).
What are the key properties of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide?
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide has a molecular weight of 406.53 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide is sourced from PubChem (CID 60581004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).