1-[4-(ethylaminomethyl)-2-methylphenyl]-N,N-dimethylpyrazole-3-carboxamide

C16H22N4O — CID 64782126

IUPAC1-[4-(ethylaminomethyl)-2-methylphenyl]-N,N-dimethylpyrazole-3-carboxamide
SMILESCCNCc1ccc(-n2ccc(C(=O)N(C)C)n2)c(C)c1
InChIInChI=1S/C16H22N4O/c1-5-17-11-13-6-7-15(12(2)10-13)20-9-8-14(18-20)16(21)19(3)4/h6-10,17H,5,11H2,1-4H3
InChIKeyJKCKXKUEEBEWHY-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.99
Rot. Bonds5

About 1-[4-(ethylaminomethyl)-2-methylphenyl]-N,N-dimethylpyrazole-3-carboxamide

1-[4-(ethylaminomethyl)-2-methylphenyl]-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 64782126) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[4-(ethylaminomethyl)-2-methylphenyl]-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-(ethylaminomethyl)-2-methylphenyl]-N,N-dimethylpyrazole-3-carboxamide
PubChem CID64782126
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-[4-(ethylaminomethyl)-2-methylphenyl]-N,N-dimethylpyrazole-3-carboxamide
SMILESCCNCc1ccc(-n2ccc(C(=O)N(C)C)n2)c(C)c1
InChIInChI=1S/C16H22N4O/c1-5-17-11-13-6-7-15(12(2)10-13)20-9-8-14(18-20)16(21)19(3)4/h6-10,17H,5,11H2,1-4H3
InChIKeyJKCKXKUEEBEWHY-UHFFFAOYSA-N
XLogP1.99
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrazole-3-carboxamide
CID 80636556
1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide
CID 64780215
1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrazole-3-carboxamide
CID 64782497
N,N-dimethyl-1-[5-(propylaminomethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 80636555
1-(2-amino-4-methylphenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64780746
N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrazole-3-carboxamide
CID 64780414
1-(2-formyl-4-nitrophenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64782674
1-(2-amino-4-fluorophenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64782079
2-methyl-N-[[3-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine
CID 63070580
4-(ethylaminomethyl)-2-methylbenzaldehyde
CID 166723974
1-(4-formyl-2-methylphenyl)-N-methylpyrazole-3-carboxamide
CID 64781543
1-[2-amino-4-(methylcarbamoyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide
CID 82992414

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylaminomethyl)-2-methylphenyl]-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-[4-(ethylaminomethyl)-2-methylphenyl]-N,N-dimethylpyrazole-3-carboxamide (CID 64782126) is 1-[4-(ethylaminomethyl)-2-methylphenyl]-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[4-(ethylaminomethyl)-2-methylphenyl]-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-[4-(ethylaminomethyl)-2-methylphenyl]-N,N-dimethylpyrazole-3-carboxamide is CCNCc1ccc(-n2ccc(C(=O)N(C)C)n2)c(C)c1.
What is the InChIKey of 1-[4-(ethylaminomethyl)-2-methylphenyl]-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is JKCKXKUEEBEWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-5-17-11-13-6-7-15(12(2)10-13)20-9-8-14(18-20)16(21)19(3)4/h6-10,17H,5,11H2,1-4H3.
What are the key properties of 1-[4-(ethylaminomethyl)-2-methylphenyl]-N,N-dimethylpyrazole-3-carboxamide?
1-[4-(ethylaminomethyl)-2-methylphenyl]-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylaminomethyl)-2-methylphenyl]-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 64782126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).