N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[methyl(piperidin-3-yl)amino]acetamide

C17H23Cl2N5O — CID 177062049

IUPACN-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[methyl(piperidin-3-yl)amino]acetamide
SMILESCN(CC(=O)NC1=NN(c2ccc(Cl)c(Cl)c2)CC1)C1CCCNC1
InChIInChI=1S/C17H23Cl2N5O/c1-23(13-3-2-7-20-10-13)11-17(25)21-16-6-8-24(22-16)12-4-5-14(18)15(19)9-12/h4-5,9,13,20H,2-3,6-8,10-11H2,1H3,(H,21,22,25)
InChIKeyRUXYCICKTIMCBM-UHFFFAOYSA-N
MW384.31 g/mol
LogP2.32
Rot. Bonds4

About N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[methyl(piperidin-3-yl)amino]acetamide

N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[methyl(piperidin-3-yl)amino]acetamide (PubChem CID 177062049) has the molecular formula C17H23Cl2N5O and a molecular weight of 384.31 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[methyl(piperidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[methyl(piperidin-3-yl)amino]acetamide
PubChem CID177062049
Molecular FormulaC17H23Cl2N5O
Molecular Weight384.31 g/mol
Exact Mass383.13
IUPAC NameN-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[methyl(piperidin-3-yl)amino]acetamide
SMILESCN(CC(=O)NC1=NN(c2ccc(Cl)c(Cl)c2)CC1)C1CCCNC1
InChIInChI=1S/C17H23Cl2N5O/c1-23(13-3-2-7-20-10-13)11-17(25)21-16-6-8-24(22-16)12-4-5-14(18)15(19)9-12/h4-5,9,13,20H,2-3,6-8,10-11H2,1H3,(H,21,22,25)
InChIKeyRUXYCICKTIMCBM-UHFFFAOYSA-N
XLogP2.32
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63642155
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperazine-2-carboxamide
CID 177062410
N-(3-chloro-4-fluorophenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63643377
2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 63298307
2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride
CID 119922827
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119267757
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607288
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2,5-dihydro-1H-pyrrole-3-carboxamide
CID 177062079
4-chloro-N-[2-[methyl(piperidin-3-yl)amino]acetyl]benzamide
CID 63644286
N-[2-[methyl(piperidin-3-yl)amino]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 63643556
N-(2-bromo-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63642312
3-[2-[2-[2-[3-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 177062315

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[methyl(piperidin-3-yl)amino]acetamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[methyl(piperidin-3-yl)amino]acetamide (CID 177062049) is N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[methyl(piperidin-3-yl)amino]acetamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[methyl(piperidin-3-yl)amino]acetamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[methyl(piperidin-3-yl)amino]acetamide is CN(CC(=O)NC1=NN(c2ccc(Cl)c(Cl)c2)CC1)C1CCCNC1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[methyl(piperidin-3-yl)amino]acetamide?
The InChIKey is RUXYCICKTIMCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N5O/c1-23(13-3-2-7-20-10-13)11-17(25)21-16-6-8-24(22-16)12-4-5-14(18)15(19)9-12/h4-5,9,13,20H,2-3,6-8,10-11H2,1H3,(H,21,22,25).
What are the key properties of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[methyl(piperidin-3-yl)amino]acetamide?
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[methyl(piperidin-3-yl)amino]acetamide has a molecular weight of 384.31 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[methyl(piperidin-3-yl)amino]acetamide is sourced from PubChem (CID 177062049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).