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

C15H19ClN4O — CID 66124147

IUPAC4-amino-N-[1-(3-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NC(C)c2cccc(Cl)c2)c1N
InChIInChI=1S/C15H19ClN4O/c1-4-12-13(17)14(20(3)19-12)15(21)18-9(2)10-6-5-7-11(16)8-10/h5-9H,4,17H2,1-3H3,(H,18,21)
InChIKeyWFWJFWAZHFEKGL-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.71
Rot. Bonds4

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

4-amino-N-[1-(3-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 66124147) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 4-amino-N-[1-(3-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(3-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID66124147
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name4-amino-N-[1-(3-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NC(C)c2cccc(Cl)c2)c1N
InChIInChI=1S/C15H19ClN4O/c1-4-12-13(17)14(20(3)19-12)15(21)18-9(2)10-6-5-7-11(16)8-10/h5-9H,4,17H2,1-3H3,(H,18,21)
InChIKeyWFWJFWAZHFEKGL-UHFFFAOYSA-N
XLogP2.71
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-(3-bromophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66123760
4-amino-N-[1-(3-chlorophenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 65355933
4-amino-3-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide
CID 107861753
4-amino-3-ethyl-1-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazole-5-carboxamide
CID 66116344
4-amino-N-[1-(3-fluorophenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66123418
4-amino-3-ethyl-1-methyl-N-(4-methylpentan-2-yl)pyrazole-5-carboxamide
CID 66122980
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 7944572
2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372365
N-[(1R)-1-(3-chlorophenyl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 25488173
4-amino-3-ethyl-N-(6-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxamide
CID 116812548
1-phenylethyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66117831
4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-methylbenzamide
CID 81371582

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[1-(3-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide (CID 66124147) is 4-amino-N-[1-(3-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(3-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[1-(3-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)NC(C)c2cccc(Cl)c2)c1N.
What is the InChIKey of 4-amino-N-[1-(3-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is WFWJFWAZHFEKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-4-12-13(17)14(20(3)19-12)15(21)18-9(2)10-6-5-7-11(16)8-10/h5-9H,4,17H2,1-3H3,(H,18,21).
What are the key properties of 4-amino-N-[1-(3-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
4-amino-N-[1-(3-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 306.80 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(3-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66124147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).