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

C15H19ClN4O — CID 43709887

IUPAC2-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzamide
SMILESCc1n[nH]c(C)c1CNc1ccc(Cl)c(C(=O)N(C)C)c1
InChIInChI=1S/C15H19ClN4O/c1-9-13(10(2)19-18-9)8-17-11-5-6-14(16)12(7-11)15(21)20(3)4/h5-7,17H,8H2,1-4H3,(H,18,19)
InChIKeyUOYAYCDVWONITI-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.99
Rot. Bonds4

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

2-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzamide (PubChem CID 43709887) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 2-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzamide
PubChem CID43709887
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name2-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzamide
SMILESCc1n[nH]c(C)c1CNc1ccc(Cl)c(C(=O)N(C)C)c1
InChIInChI=1S/C15H19ClN4O/c1-9-13(10(2)19-18-9)8-17-11-5-6-14(16)12(7-11)15(21)20(3)4/h5-7,17H,8H2,1-4H3,(H,18,19)
InChIKeyUOYAYCDVWONITI-UHFFFAOYSA-N
XLogP2.99
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N,N-dimethyl-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide
CID 62749405
2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide
CID 83089965
4-chloro-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-nitroaniline
CID 43719531
2-chloro-N,N-dimethyl-5-(1H-pyrrol-3-ylmethylamino)benzamide
CID 66409168
3-chloro-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-nitroaniline
CID 82864525
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylaniline
CID 43644839
2-chloro-N,N-dimethyl-5-[(5-methylfuran-2-yl)methylamino]benzamide
CID 43709786
2-chloro-N,N-dimethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
CID 60940622
2-chloro-5-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 104921758
5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 43644891
methyl 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]benzoate
CID 43645040
2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide
CID 43724210

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzamide?
The IUPAC name of 2-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzamide (CID 43709887) is 2-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzamide is Cc1n[nH]c(C)c1CNc1ccc(Cl)c(C(=O)N(C)C)c1.
What is the InChIKey of 2-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzamide?
The InChIKey is UOYAYCDVWONITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-9-13(10(2)19-18-9)8-17-11-5-6-14(16)12(7-11)15(21)20(3)4/h5-7,17H,8H2,1-4H3,(H,18,19).
What are the key properties of 2-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzamide?
2-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzamide has a molecular weight of 306.80 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 43709887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).