N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzamide

C16H21N3O — CID 19456466

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzamide
SMILESCc1ccc(C)c(C(=O)N(C)Cc2cnn(C)c2C)c1
InChIInChI=1S/C16H21N3O/c1-11-6-7-12(2)15(8-11)16(20)18(4)10-14-9-17-19(5)13(14)3/h6-9H,10H2,1-5H3
InChIKeyFYAYFUPWVCZVKW-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.62
Rot. Bonds3

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzamide (PubChem CID 19456466) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzamide
PubChem CID19456466
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzamide
SMILESCc1ccc(C)c(C(=O)N(C)Cc2cnn(C)c2C)c1
InChIInChI=1S/C16H21N3O/c1-11-6-7-12(2)15(8-11)16(20)18(4)10-14-9-17-19(5)13(14)3/h6-9H,10H2,1-5H3
InChIKeyFYAYFUPWVCZVKW-UHFFFAOYSA-N
XLogP2.62
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N,2,5-trimethylbenzamide
CID 19458548
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbenzamide
CID 19456305
3-[(2,5-dimethylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-N-methylbenzamide
CID 19456382
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4-trimethoxy-N-methylbenzamide
CID 19456475
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-nitrobenzamide
CID 17285305
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-phenylbenzamide
CID 19456480
4-[(2,4-dimethylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19484143
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19492909
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzamide
CID 19454034
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1,3-trimethylpyrazole-5-carboxamide
CID 19575688
N-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide
CID 43458074
N-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide
CID 100542363

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzamide (CID 19456466) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzamide is Cc1ccc(C)c(C(=O)N(C)Cc2cnn(C)c2C)c1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzamide?
The InChIKey is FYAYFUPWVCZVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-6-7-12(2)15(8-11)16(20)18(4)10-14-9-17-19(5)13(14)3/h6-9H,10H2,1-5H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzamide has a molecular weight of 271.36 g/mol, XLogP of 2.62, 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,2,5-trimethylbenzamide is sourced from PubChem (CID 19456466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).