3-(4-methoxyphenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide

C18H25N3O2 — CID 831902

IUPAC3-(4-methoxyphenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)N(C)Cc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C18H25N3O2/c1-13-17(14(2)21(4)19-13)12-20(3)18(22)11-8-15-6-9-16(23-5)10-7-15/h6-7,9-10H,8,11-12H2,1-5H3
InChIKeyYJSACQIGHANRMJ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.64
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide

3-(4-methoxyphenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide (PubChem CID 831902) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
PubChem CID831902
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-(4-methoxyphenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)N(C)Cc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C18H25N3O2/c1-13-17(14(2)21(4)19-13)12-20(3)18(22)11-8-15-6-9-16(23-5)10-7-15/h6-7,9-10H,8,11-12H2,1-5H3
InChIKeyYJSACQIGHANRMJ-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide
CID 6882781
N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide
CID 1223828
(3,5-dimethyl-1H-pyrazol-1-yl)(4-methoxyphenyl)methanone
CID 910410
3-(4-methoxyphenyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 1244077
ethyl (4-{[3-(4-methoxyphenyl)propanoyl]amino}-3,5-dimethyl-1H-pyrazol-1-yl)acetate
CID 1506934
(3E)-3-({3-[(3,5-Dimethyl-1H-pyrazol-1-YL)methyl]-4-methoxyphenyl}methylidene)-[1,1'-BI(cyclopentane)]-2-one
CID 12004993
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24790433
(3-isopropoxyphenyl){1-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinyl}methanone
CID 24794072
2-(1-ethyl-4-(4-methoxyphenethyl)-3-methyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)-N-methyl-2-phenylacetamide
CID 46880346
(E)-3-(dimethylamino)-2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 5937999
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(4-methoxyphenyl)propanehydrazide
CID 18161618
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 3238161

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide (CID 831902) is 3-(4-methoxyphenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide is COc1ccc(CCC(=O)N(C)Cc2c(C)nn(C)c2C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The InChIKey is YJSACQIGHANRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-17(14(2)21(4)19-13)12-20(3)18(22)11-8-15-6-9-16(23-5)10-7-15/h6-7,9-10H,8,11-12H2,1-5H3.
What are the key properties of 3-(4-methoxyphenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
3-(4-methoxyphenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide has a molecular weight of 315.42 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 831902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).