4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide

C15H19ClN4O — CID 66123402

IUPAC4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)N(C)C(C)c2ccc(Cl)cc2)c1N
InChIInChI=1S/C15H19ClN4O/c1-9-13(17)14(20(4)18-9)15(21)19(3)10(2)11-5-7-12(16)8-6-11/h5-8,10H,17H2,1-4H3
InChIKeyVELJDVBFQACWBY-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.80
Rot. Bonds3

About 4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide

4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide (PubChem CID 66123402) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide
PubChem CID66123402
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)N(C)C(C)c2ccc(Cl)cc2)c1N
InChIInChI=1S/C15H19ClN4O/c1-9-13(17)14(20(4)18-9)15(21)19(3)10(2)11-5-7-12(16)8-6-11/h5-8,10H,17H2,1-4H3
InChIKeyVELJDVBFQACWBY-UHFFFAOYSA-N
XLogP2.80
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide (CID 66123402) is 4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)N(C)C(C)c2ccc(Cl)cc2)c1N.
What is the InChIKey of 4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide?
The InChIKey is VELJDVBFQACWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-9-13(17)14(20(4)18-9)15(21)19(3)10(2)11-5-7-12(16)8-6-11/h5-8,10H,17H2,1-4H3.
What are the key properties of 4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide?
4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide has a molecular weight of 306.80 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66123402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).