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3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-phenylethyl)propanamide

C24H30N6O — CID 53069421

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-phenylethyl)propanamide
SMILESCc1nn(-c2cc(N3CCCC3)ncn2)c(C)c1CCC(=O)NCCc1ccccc1
InChIInChI=1S/C24H30N6O/c1-18-21(10-11-24(31)25-13-12-20-8-4-3-5-9-20)19(2)30(28-18)23-16-22(26-17-27-23)29-14-6-7-15-29/h3-5,8-9,16-17H,6-7,10-15H2,1-2H3,(H,25,31)
InChIKeyLMRMIDHXQIUVOJ-UHFFFAOYSA-N
MW418.55 g/mol
LogP3.17
Rot. Bonds8

About 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-phenylethyl)propanamide

3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-phenylethyl)propanamide (PubChem CID 53069421) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-phenylethyl)propanamide
PubChem CID53069421
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-phenylethyl)propanamide
SMILESCc1nn(-c2cc(N3CCCC3)ncn2)c(C)c1CCC(=O)NCCc1ccccc1
InChIInChI=1S/C24H30N6O/c1-18-21(10-11-24(31)25-13-12-20-8-4-3-5-9-20)19(2)30(28-18)23-16-22(26-17-27-23)29-14-6-7-15-29/h3-5,8-9,16-17H,6-7,10-15H2,1-2H3,(H,25,31)
InChIKeyLMRMIDHXQIUVOJ-UHFFFAOYSA-N
XLogP3.17
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-phenylethyl)propanamide (CID 53069421) is 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-phenylethyl)propanamide is Cc1nn(-c2cc(N3CCCC3)ncn2)c(C)c1CCC(=O)NCCc1ccccc1.
What is the InChIKey of 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-phenylethyl)propanamide?
The InChIKey is LMRMIDHXQIUVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-18-21(10-11-24(31)25-13-12-20-8-4-3-5-9-20)19(2)30(28-18)23-16-22(26-17-27-23)29-14-6-7-15-29/h3-5,8-9,16-17H,6-7,10-15H2,1-2H3,(H,25,31).
What are the key properties of 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-phenylethyl)propanamide?
3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-phenylethyl)propanamide has a molecular weight of 418.55 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 53069421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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