N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-N-(1-methylpyrazol-4-yl)pentanamide

C19H27N3O3 — CID 71873160

IUPACN-[(2,4-dimethoxyphenyl)methyl]-4-methyl-N-(1-methylpyrazol-4-yl)pentanamide
SMILESCOc1ccc(CN(C(=O)CCC(C)C)c2cnn(C)c2)c(OC)c1
InChIInChI=1S/C19H27N3O3/c1-14(2)6-9-19(23)22(16-11-20-21(3)13-16)12-15-7-8-17(24-4)10-18(15)25-5/h7-8,10-11,13-14H,6,9,12H2,1-5H3
InChIKeyDBOMGTXQKIDKLR-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.41
Rot. Bonds8

About N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-N-(1-methylpyrazol-4-yl)pentanamide

N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-N-(1-methylpyrazol-4-yl)pentanamide (PubChem CID 71873160) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-N-(1-methylpyrazol-4-yl)pentanamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-4-methyl-N-(1-methylpyrazol-4-yl)pentanamide
PubChem CID71873160
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-4-methyl-N-(1-methylpyrazol-4-yl)pentanamide
SMILESCOc1ccc(CN(C(=O)CCC(C)C)c2cnn(C)c2)c(OC)c1
InChIInChI=1S/C19H27N3O3/c1-14(2)6-9-19(23)22(16-11-20-21(3)13-16)12-15-7-8-17(24-4)10-18(15)25-5/h7-8,10-11,13-14H,6,9,12H2,1-5H3
InChIKeyDBOMGTXQKIDKLR-UHFFFAOYSA-N
XLogP3.41
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-N-(1-methylpyrazol-4-yl)pentanamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-N-(1-methylpyrazol-4-yl)pentanamide (CID 71873160) is N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-N-(1-methylpyrazol-4-yl)pentanamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-N-(1-methylpyrazol-4-yl)pentanamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-N-(1-methylpyrazol-4-yl)pentanamide is COc1ccc(CN(C(=O)CCC(C)C)c2cnn(C)c2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-N-(1-methylpyrazol-4-yl)pentanamide?
The InChIKey is DBOMGTXQKIDKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14(2)6-9-19(23)22(16-11-20-21(3)13-16)12-15-7-8-17(24-4)10-18(15)25-5/h7-8,10-11,13-14H,6,9,12H2,1-5H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-N-(1-methylpyrazol-4-yl)pentanamide?
N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-N-(1-methylpyrazol-4-yl)pentanamide has a molecular weight of 345.44 g/mol, XLogP of 3.41, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-N-(1-methylpyrazol-4-yl)pentanamide is sourced from PubChem (CID 71873160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).