N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4-trimethoxy-N-methylbenzamide

C17H23N3O4 — CID 19456475

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4-trimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2cnn(C)c2C)c(OC)c1OC
InChIInChI=1S/C17H23N3O4/c1-11-12(9-18-20(11)3)10-19(2)17(21)13-7-8-14(22-4)16(24-6)15(13)23-5/h7-9H,10H2,1-6H3
InChIKeyLJNNWHAUQBVPMP-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.03
Rot. Bonds6

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4-trimethoxy-N-methylbenzamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4-trimethoxy-N-methylbenzamide (PubChem CID 19456475) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4-trimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4-trimethoxy-N-methylbenzamide
PubChem CID19456475
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4-trimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2cnn(C)c2C)c(OC)c1OC
InChIInChI=1S/C17H23N3O4/c1-11-12(9-18-20(11)3)10-19(2)17(21)13-7-8-14(22-4)16(24-6)15(13)23-5/h7-9H,10H2,1-6H3
InChIKeyLJNNWHAUQBVPMP-UHFFFAOYSA-N
XLogP2.03
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzamide
CID 19456466
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 19515423
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-phenylbenzamide
CID 19456480
3-[(2,5-dimethylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-N-methylbenzamide
CID 19456382
3-[(4-chlorophenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-N-methylbenzamide
CID 19456362
N-(2-hydroxyethyl)-2,3,4-trimethoxy-N-methylbenzamide
CID 60652690
N,2-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 18113258
2,3,4-trimethoxy-N-methyl-N-[(4-phenylphenyl)methyl]benzamide
CID 52571877
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-nitrobenzamide
CID 17285305
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbenzamide
CID 19456305
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 19456504
N-[2-(4-fluorophenyl)ethyl]-2,3,4-trimethoxy-N-methylbenzamide
CID 60571717

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4-trimethoxy-N-methylbenzamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4-trimethoxy-N-methylbenzamide (CID 19456475) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4-trimethoxy-N-methylbenzamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4-trimethoxy-N-methylbenzamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4-trimethoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)Cc2cnn(C)c2C)c(OC)c1OC.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4-trimethoxy-N-methylbenzamide?
The InChIKey is LJNNWHAUQBVPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-11-12(9-18-20(11)3)10-19(2)17(21)13-7-8-14(22-4)16(24-6)15(13)23-5/h7-9H,10H2,1-6H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4-trimethoxy-N-methylbenzamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4-trimethoxy-N-methylbenzamide has a molecular weight of 333.39 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4-trimethoxy-N-methylbenzamide is sourced from PubChem (CID 19456475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).