N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-4-pyrimidin-5-ylbenzamide

C19H21N5O — CID 119060682

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-4-pyrimidin-5-ylbenzamide
SMILESCc1cc(C)n(CCN(C)C(=O)c2ccc(-c3cncnc3)cc2)n1
InChIInChI=1S/C19H21N5O/c1-14-10-15(2)24(22-14)9-8-23(3)19(25)17-6-4-16(5-7-17)18-11-20-13-21-12-18/h4-7,10-13H,8-9H2,1-3H3
InChIKeyJVJFDLBQLKTQGK-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.73
Rot. Bonds5

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-4-pyrimidin-5-ylbenzamide

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-4-pyrimidin-5-ylbenzamide (PubChem CID 119060682) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-4-pyrimidin-5-ylbenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-4-pyrimidin-5-ylbenzamide
PubChem CID119060682
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-4-pyrimidin-5-ylbenzamide
SMILESCc1cc(C)n(CCN(C)C(=O)c2ccc(-c3cncnc3)cc2)n1
InChIInChI=1S/C19H21N5O/c1-14-10-15(2)24(22-14)9-8-23(3)19(25)17-6-4-16(5-7-17)18-11-20-13-21-12-18/h4-7,10-13H,8-9H2,1-3H3
InChIKeyJVJFDLBQLKTQGK-UHFFFAOYSA-N
XLogP2.73
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylbenzamide
CID 119062826
(3R)-3-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylcarbamoyl]amino]-5-methylhexanoic acid
CID 126436726
(3S)-3-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylcarbamoyl]amino]-5-methylhexanoic acid
CID 126436725
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(2-methoxyphenyl)-N-methylpyrazole-4-carboxamide
CID 70776308
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 56908077
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-thiophen-3-ylacetamide
CID 91832275
2-(2,4-dichlorophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylacetamide
CID 72902089
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide
CID 35761321
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-oxoquinolin-1-yl)acetamide
CID 72884552
5-[(2,5-dimethylphenoxy)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 26315290
3-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxypropyl)-N-methylpropanamide
CID 114230520

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-4-pyrimidin-5-ylbenzamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-4-pyrimidin-5-ylbenzamide (CID 119060682) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-4-pyrimidin-5-ylbenzamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-4-pyrimidin-5-ylbenzamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-4-pyrimidin-5-ylbenzamide is Cc1cc(C)n(CCN(C)C(=O)c2ccc(-c3cncnc3)cc2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-4-pyrimidin-5-ylbenzamide?
The InChIKey is JVJFDLBQLKTQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14-10-15(2)24(22-14)9-8-23(3)19(25)17-6-4-16(5-7-17)18-11-20-13-21-12-18/h4-7,10-13H,8-9H2,1-3H3.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-4-pyrimidin-5-ylbenzamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-4-pyrimidin-5-ylbenzamide has a molecular weight of 335.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-4-pyrimidin-5-ylbenzamide is sourced from PubChem (CID 119060682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).