4-amino-N-[1-(2-chlorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide

C14H17ClN4O — CID 65357009

IUPAC4-amino-N-[1-(2-chlorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NC(C)c1ccccc1Cl
InChIInChI=1S/C14H17ClN4O/c1-3-19-13(12(16)8-17-19)14(20)18-9(2)10-6-4-5-7-11(10)15/h4-9H,3,16H2,1-2H3,(H,18,20)
InChIKeyDMAYUCUQHYIOAI-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.63
Rot. Bonds4

About 4-amino-N-[1-(2-chlorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide

4-amino-N-[1-(2-chlorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide (PubChem CID 65357009) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-amino-N-[1-(2-chlorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(2-chlorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide
PubChem CID65357009
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name4-amino-N-[1-(2-chlorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NC(C)c1ccccc1Cl
InChIInChI=1S/C14H17ClN4O/c1-3-19-13(12(16)8-17-19)14(20)18-9(2)10-6-4-5-7-11(10)15/h4-9H,3,16H2,1-2H3,(H,18,20)
InChIKeyDMAYUCUQHYIOAI-UHFFFAOYSA-N
XLogP2.63
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-ethyl-N-(4-methylpent-1-yn-3-yl)pyrazole-5-carboxamide
CID 114201947
4-amino-1-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)pyrazole-5-carboxamide
CID 79248487
4-amino-1-ethyl-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrazole-5-carboxamide
CID 107860600
4-amino-N-(4-chlorophenyl)-1-ethylpyrazole-5-carboxamide
CID 65357708
4-amino-1-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrazole-5-carboxamide
CID 106347925
4-amino-1-ethyl-N-(1-thiophen-2-ylbutyl)pyrazole-5-carboxamide
CID 65358853
4-amino-N-[1-(2-chlorophenyl)ethyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 62081467
4-amino-N-(4-bromo-3-chlorophenyl)-1-ethylpyrazole-5-carboxamide
CID 107618381
4-amino-N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-5-carboxamide
CID 65357288
4-(chloromethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81377370
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
4-amino-N-[1-(2-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide
CID 61117628

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2-chlorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[1-(2-chlorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide (CID 65357009) is 4-amino-N-[1-(2-chlorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(2-chlorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[1-(2-chlorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)NC(C)c1ccccc1Cl.
What is the InChIKey of 4-amino-N-[1-(2-chlorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide?
The InChIKey is DMAYUCUQHYIOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-3-19-13(12(16)8-17-19)14(20)18-9(2)10-6-4-5-7-11(10)15/h4-9H,3,16H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-N-[1-(2-chlorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide?
4-amino-N-[1-(2-chlorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 2.63, 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-(2-chlorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 65357009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).