2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide

C15H19ClN4O — CID 83089965

IUPAC2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide
SMILESCc1nn(C)cc1CNc1ccc(Cl)c(C(=O)N(C)C)c1
InChIInChI=1S/C15H19ClN4O/c1-10-11(9-20(4)18-10)8-17-12-5-6-14(16)13(7-12)15(21)19(2)3/h5-7,9,17H,8H2,1-4H3
InChIKeyXNUBZFAIGXZVSL-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.70
Rot. Bonds4

About 2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide

2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide (PubChem CID 83089965) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide
PubChem CID83089965
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide
SMILESCc1nn(C)cc1CNc1ccc(Cl)c(C(=O)N(C)C)c1
InChIInChI=1S/C15H19ClN4O/c1-10-11(9-20(4)18-10)8-17-12-5-6-14(16)13(7-12)15(21)19(2)3/h5-7,9,17H,8H2,1-4H3
InChIKeyXNUBZFAIGXZVSL-UHFFFAOYSA-N
XLogP2.70
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]benzamide
CID 83086550
3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 83085930
2-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzamide
CID 43709887
2-chloro-5-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 104921758
2-chloro-N,N-dimethyl-5-(1H-pyrrol-3-ylmethylamino)benzamide
CID 66409168
2-chloro-N,N-dimethyl-5-[(5-methylfuran-2-yl)methylamino]benzamide
CID 43709786
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-fluoro-3-methylaniline
CID 82686795
2-chloro-N,N-dimethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
CID 60940622
2-chloro-N,N-dimethyl-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide
CID 62749405
6-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,4-dihydroquinoxaline-2,3-dione
CID 83090137
2-bromo-4-[(1,3-dimethylpyrazol-4-yl)methylamino]benzenecarbothioamide
CID 107278051
5-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyridin-2-one
CID 83088804

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide?
The IUPAC name of 2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide (CID 83089965) is 2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide is Cc1nn(C)cc1CNc1ccc(Cl)c(C(=O)N(C)C)c1.
What is the InChIKey of 2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide?
The InChIKey is XNUBZFAIGXZVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-10-11(9-20(4)18-10)8-17-12-5-6-14(16)13(7-12)15(21)19(2)3/h5-7,9,17H,8H2,1-4H3.
What are the key properties of 2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide?
2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide has a molecular weight of 306.80 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 83089965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).