N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbenzamide

C15H19N3O — CID 19456305

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)Cc2cnn(C)c2C)c1
InChIInChI=1S/C15H19N3O/c1-11-6-5-7-13(8-11)15(19)17(3)10-14-9-16-18(4)12(14)2/h5-9H,10H2,1-4H3
InChIKeyWYJOJQILHMHQDR-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.31
Rot. Bonds3

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbenzamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbenzamide (PubChem CID 19456305) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbenzamide
PubChem CID19456305
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)Cc2cnn(C)c2C)c1
InChIInChI=1S/C15H19N3O/c1-11-6-5-7-13(8-11)15(19)17(3)10-14-9-16-18(4)12(14)2/h5-9H,10H2,1-4H3
InChIKeyWYJOJQILHMHQDR-UHFFFAOYSA-N
XLogP2.31
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-phenylbenzamide
CID 19456480
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzamide
CID 19456466
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methylbenzamide
CID 19456365
1-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(3-methylphenyl)thiourea
CID 19454088
3-[(2,5-dimethylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-N-methylbenzamide
CID 19456382
N-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylbenzamide
CID 60923258
[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 4776530
3-[(4-chlorophenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-N-methylbenzamide
CID 19456362
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1,3-trimethylpyrazole-5-carboxamide
CID 19575688
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 19456504
3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 19456514
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4-trimethoxy-N-methylbenzamide
CID 19456475

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbenzamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbenzamide (CID 19456305) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbenzamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbenzamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbenzamide is Cc1cccc(C(=O)N(C)Cc2cnn(C)c2C)c1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbenzamide?
The InChIKey is WYJOJQILHMHQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-6-5-7-13(8-11)15(19)17(3)10-14-9-16-18(4)12(14)2/h5-9H,10H2,1-4H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbenzamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbenzamide has a molecular weight of 257.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbenzamide is sourced from PubChem (CID 19456305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).