N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2-piperidin-1-ylacetamide

C16H18Cl2N4O — CID 24743571

IUPACN-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1ccn(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H18Cl2N4O/c17-13-5-4-12(10-14(13)18)22-9-6-15(20-22)19-16(23)11-21-7-2-1-3-8-21/h4-6,9-10H,1-3,7-8,11H2,(H,19,20,23)
InChIKeyHXEUBQJOAYELLW-UHFFFAOYSA-N
MW353.25 g/mol
LogP3.60
Rot. Bonds4

About N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2-piperidin-1-ylacetamide

N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2-piperidin-1-ylacetamide (PubChem CID 24743571) has the molecular formula C16H18Cl2N4O and a molecular weight of 353.25 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2-piperidin-1-ylacetamide
PubChem CID24743571
Molecular FormulaC16H18Cl2N4O
Molecular Weight353.25 g/mol
Exact Mass352.09
IUPAC NameN-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1ccn(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H18Cl2N4O/c17-13-5-4-12(10-14(13)18)22-9-6-15(20-22)19-16(23)11-21-7-2-1-3-8-21/h4-6,9-10H,1-3,7-8,11H2,(H,19,20,23)
InChIKeyHXEUBQJOAYELLW-UHFFFAOYSA-N
XLogP3.60
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-N-(2-morpholinoethyl)-1H-pyrazol-3-amine
CID 24743568
1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)pyrazol-3-amine
CID 24743572
1-[4-[2-[[1-(3,4-Dichlorophenyl)triazol-4-yl]amino]ethyl]piperazin-1-yl]ethanone
CID 76684304
1-(2-Cyclohexylpyrazol-3-yl)-3-(3,4-dichlorophenyl)urea
CID 2103145
2-cyano-N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]acetamide
CID 155568071
1-[1-(2-Chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-3-yl)urea
CID 71992448
N-(3,4-dichlorophenyl)-2-(1H-pyrazol-1-yl)acetamide
CID 15943479
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 4784898
N-{1-[1-(aminoacetyl)piperidin-4-yl]-1H-pyrazol-5-yl}-N'-(2-chlorophenyl)urea
CID 56738904
N-(2-chlorophenyl)-N'-{1-[1-(N-methylglycyl)-4-piperidinyl]-1H-pyrazol-5-yl}urea hydrochloride
CID 56746264
4-(2-(1H-pyrazol-1-yl)ethyl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 71783837
N-(2,3-dichlorophenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]acetamide
CID 75430742

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2-piperidin-1-ylacetamide (CID 24743571) is N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)Nc1ccn(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2-piperidin-1-ylacetamide?
The InChIKey is HXEUBQJOAYELLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O/c17-13-5-4-12(10-14(13)18)22-9-6-15(20-22)19-16(23)11-21-7-2-1-3-8-21/h4-6,9-10H,1-3,7-8,11H2,(H,19,20,23).
What are the key properties of N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2-piperidin-1-ylacetamide?
N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2-piperidin-1-ylacetamide has a molecular weight of 353.25 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 24743571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).