N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylbenzamide

C14H16ClN3O — CID 19460736

IUPACN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylbenzamide
SMILESCc1ccccc1C(=O)N(C)Cc1c(Cl)cnn1C
InChIInChI=1S/C14H16ClN3O/c1-10-6-4-5-7-11(10)14(19)17(2)9-13-12(15)8-16-18(13)3/h4-8H,9H2,1-3H3
InChIKeyLLSWCDGVTOOLRB-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.65
Rot. Bonds3

About N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylbenzamide

N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylbenzamide (PubChem CID 19460736) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylbenzamide
PubChem CID19460736
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC NameN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylbenzamide
SMILESCc1ccccc1C(=O)N(C)Cc1c(Cl)cnn1C
InChIInChI=1S/C14H16ClN3O/c1-10-6-4-5-7-11(10)14(19)17(2)9-13-12(15)8-16-18(13)3/h4-8H,9H2,1-3H3
InChIKeyLLSWCDGVTOOLRB-UHFFFAOYSA-N
XLogP2.65
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethyl-3-nitrobenzamide
CID 19460511
N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 112792499
4-chloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 19278145
N-[(4-chlorophenyl)methyl]-N,2-dimethylbenzamide
CID 43908097
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N,2,5-trimethylbenzamide
CID 19458548
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylbutanamide
CID 19460723
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(1-ethyl-3-methylpyrazol-4-yl)-N-methylquinoline-4-carboxamide
CID 19583231
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(difluoromethyl)-N-methylpyrazole-3-carboxamide
CID 19478714
2-(benzotriazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylacetamide
CID 19460563
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-methylbenzamide
CID 19322664
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19460541
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N,2-dimethyl-3-nitrobenzamide
CID 19458385

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylbenzamide?
The IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylbenzamide (CID 19460736) is N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylbenzamide.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylbenzamide?
The canonical SMILES for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylbenzamide is Cc1ccccc1C(=O)N(C)Cc1c(Cl)cnn1C.
What is the InChIKey of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylbenzamide?
The InChIKey is LLSWCDGVTOOLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-10-6-4-5-7-11(10)14(19)17(2)9-13-12(15)8-16-18(13)3/h4-8H,9H2,1-3H3.
What are the key properties of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylbenzamide?
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylbenzamide has a molecular weight of 277.75 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylbenzamide is sourced from PubChem (CID 19460736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).