2-(3-chlorophenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]-2-methylpropanamide

C17H21ClN4O2 — CID 84584295

IUPAC2-(3-chlorophenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]-2-methylpropanamide
SMILESCCNC(=O)Cn1ccc(NC(=O)C(C)(C)c2cccc(Cl)c2)n1
InChIInChI=1S/C17H21ClN4O2/c1-4-19-15(23)11-22-9-8-14(21-22)20-16(24)17(2,3)12-6-5-7-13(18)10-12/h5-10H,4,11H2,1-3H3,(H,19,23)(H,20,21,24)
InChIKeyKKKHQJZJLDDQDL-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.59
Rot. Bonds6

About 2-(3-chlorophenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]-2-methylpropanamide

2-(3-chlorophenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]-2-methylpropanamide (PubChem CID 84584295) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]-2-methylpropanamide
PubChem CID84584295
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name2-(3-chlorophenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]-2-methylpropanamide
SMILESCCNC(=O)Cn1ccc(NC(=O)C(C)(C)c2cccc(Cl)c2)n1
InChIInChI=1S/C17H21ClN4O2/c1-4-19-15(23)11-22-9-8-14(21-22)20-16(24)17(2,3)12-6-5-7-13(18)10-12/h5-10H,4,11H2,1-3H3,(H,19,23)(H,20,21,24)
InChIKeyKKKHQJZJLDDQDL-UHFFFAOYSA-N
XLogP2.59
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[2-(3-bromophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]acetic acid
CID 119231188
methyl 3-[[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]carbamoyl]benzoate
CID 75370267
2-(3-chlorophenyl)-2-methyl-N-propylpropanamide
CID 110437628
2-[3-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]acetic acid
CID 119231270
2-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]acetic acid
CID 119230725
2-(3-chlorophenyl)-2-methyl-N-(5-methyl-2H-triazol-4-yl)propanamide
CID 126828995
2-(3-chlorophenyl)-N-(2-hydroxyethyl)-2-methylpropanamide
CID 110437674
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19524979
3-(2,4-dimethylphenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]propanamide
CID 56784807
N-(3-acetylphenyl)-2-(3-chlorophenyl)-2-methylpropanamide
CID 110438653
2-(3-chlorophenyl)-N-(4,5-dichloro-3-pyridinyl)-2-methylpropanamide
CID 167931960
2-[3-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
CID 119231028

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]-2-methylpropanamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]-2-methylpropanamide (CID 84584295) is 2-(3-chlorophenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]-2-methylpropanamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]-2-methylpropanamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]-2-methylpropanamide is CCNC(=O)Cn1ccc(NC(=O)C(C)(C)c2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]-2-methylpropanamide?
The InChIKey is KKKHQJZJLDDQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-4-19-15(23)11-22-9-8-14(21-22)20-16(24)17(2,3)12-6-5-7-13(18)10-12/h5-10H,4,11H2,1-3H3,(H,19,23)(H,20,21,24).
What are the key properties of 2-(3-chlorophenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]-2-methylpropanamide?
2-(3-chlorophenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]-2-methylpropanamide has a molecular weight of 348.83 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]-2-methylpropanamide is sourced from PubChem (CID 84584295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).