2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide

C18H25N3O2 — CID 167827972

IUPAC2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)C(C)c1cn(C)nc1C
InChIInChI=1S/C18H25N3O2/c1-6-21(11-15-7-9-16(23-5)10-8-15)18(22)13(2)17-12-20(4)19-14(17)3/h7-10,12-13H,6,11H2,1-5H3
InChIKeyILRAOYKLZVNBRJ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.89
Rot. Bonds6

About 2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide

2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 167827972) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID167827972
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)C(C)c1cn(C)nc1C
InChIInChI=1S/C18H25N3O2/c1-6-21(11-15-7-9-16(23-5)10-8-15)18(22)13(2)17-12-20(4)19-14(17)3/h7-10,12-13H,6,11H2,1-5H3
InChIKeyILRAOYKLZVNBRJ-UHFFFAOYSA-N
XLogP2.89
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 61163391
(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide
CID 93372926
2-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 65227293
1-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-1-one
CID 102802775
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine
CID 102803821
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide
CID 39949823
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide;hydrochloride
CID 120560791
[1-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 102804965
(2R)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylsulfanylbutanamide
CID 104907794
N-[(4-ethoxyphenyl)methyl]-N-ethyl-2-methoxybutanamide
CID 131938327
N-benzyl-N-ethyl-1,3-dimethylpyrazole-4-carboxamide
CID 45285247
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 61109695

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide (CID 167827972) is 2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide is CCN(Cc1ccc(OC)cc1)C(=O)C(C)c1cn(C)nc1C.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is ILRAOYKLZVNBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-6-21(11-15-7-9-16(23-5)10-8-15)18(22)13(2)17-12-20(4)19-14(17)3/h7-10,12-13H,6,11H2,1-5H3.
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide?
2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 315.42 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 167827972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).