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

C16H22N4O — CID 65192374

IUPAC4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N,N-dimethylbenzamide
SMILESCc1nn(C)cc1C(C)Nc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C16H22N4O/c1-11(15-10-20(5)18-12(15)2)17-14-8-6-13(7-9-14)16(21)19(3)4/h6-11,17H,1-5H3
InChIKeyFUJJMZSYGZQDOT-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.60
Rot. Bonds4

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

4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N,N-dimethylbenzamide (PubChem CID 65192374) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N,N-dimethylbenzamide
PubChem CID65192374
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N,N-dimethylbenzamide
SMILESCc1nn(C)cc1C(C)Nc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C16H22N4O/c1-11(15-10-20(5)18-12(15)2)17-14-8-6-13(7-9-14)16(21)19(3)4/h6-11,17H,1-5H3
InChIKeyFUJJMZSYGZQDOT-UHFFFAOYSA-N
XLogP2.60
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
CID 65197115
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylaniline
CID 65191898
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-iodoaniline
CID 65192267
methyl 3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzoate
CID 65191652
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,N-dimethylbenzamide
CID 43682035
methyl 2-chloro-5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzoate
CID 65192423
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3,5-dimethylaniline
CID 65192459
2-chloro-4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
CID 107678355
3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
CID 65191851
ethyl 6-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyridine-3-carboxylate
CID 122150645
methyl 3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-4-methylbenzoate
CID 65192221
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazol-4-amine
CID 65192064

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N,N-dimethylbenzamide (CID 65192374) is 4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N,N-dimethylbenzamide is Cc1nn(C)cc1C(C)Nc1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of 4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N,N-dimethylbenzamide?
The InChIKey is FUJJMZSYGZQDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11(15-10-20(5)18-12(15)2)17-14-8-6-13(7-9-14)16(21)19(3)4/h6-11,17H,1-5H3.
What are the key properties of 4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N,N-dimethylbenzamide?
4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N,N-dimethylbenzamide has a molecular weight of 286.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 65192374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).