N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-5-methylheptanamide

C17H23Cl2N3O — CID 177135458

IUPACN-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-5-methylheptanamide
SMILESCCC(C)CCCC(=O)NC1=NN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H23Cl2N3O/c1-3-12(2)5-4-6-17(23)20-16-9-10-22(21-16)13-7-8-14(18)15(19)11-13/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,20,21,23)
InChIKeyLUCIWDINTZFHQH-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.85
Rot. Bonds6

About N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-5-methylheptanamide

N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-5-methylheptanamide (PubChem CID 177135458) has the molecular formula C17H23Cl2N3O and a molecular weight of 356.30 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-5-methylheptanamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-5-methylheptanamide
PubChem CID177135458
Molecular FormulaC17H23Cl2N3O
Molecular Weight356.30 g/mol
Exact Mass355.12
IUPAC NameN-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-5-methylheptanamide
SMILESCCC(C)CCCC(=O)NC1=NN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H23Cl2N3O/c1-3-12(2)5-4-6-17(23)20-16-9-10-22(21-16)13-7-8-14(18)15(19)11-13/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,20,21,23)
InChIKeyLUCIWDINTZFHQH-UHFFFAOYSA-N
XLogP4.85
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[2-[2-[3-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 177062315
3-[2-[2-[3-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoic acid
CID 177062058
CID 177061894
CID 177061894
2-[2-[[4-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]amino]-4-oxobutyl]amino]-2-oxoethoxy]acetyl iodide
CID 177062094
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-pyridin-2-ylacetamide
CID 177062026
4-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]benzamide
CID 15580737
2-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide
CID 177061825
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[(2R)-2-(methoxymethyl)morpholin-4-yl]acetamide
CID 177061890
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2,5-dihydro-1H-pyrrole-3-carboxamide
CID 177062079
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[methyl(piperidin-3-yl)amino]acetamide
CID 177062049
(3R)-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 177062311
N-[2-(3-chloro-4-methylphenyl)-3,4-dihydropyrazol-5-yl]formamide
CID 177061778

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-5-methylheptanamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-5-methylheptanamide (CID 177135458) is N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-5-methylheptanamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-5-methylheptanamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-5-methylheptanamide is CCC(C)CCCC(=O)NC1=NN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-5-methylheptanamide?
The InChIKey is LUCIWDINTZFHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O/c1-3-12(2)5-4-6-17(23)20-16-9-10-22(21-16)13-7-8-14(18)15(19)11-13/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,20,21,23).
What are the key properties of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-5-methylheptanamide?
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-5-methylheptanamide has a molecular weight of 356.30 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-5-methylheptanamide is sourced from PubChem (CID 177135458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).