N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrrolidin-2-ylacetamide

C16H18Cl2N4O — CID 119696124

IUPACN-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1ccnn1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H18Cl2N4O/c17-13-5-1-3-11(16(13)18)10-22-14(6-8-20-22)21-15(23)9-12-4-2-7-19-12/h1,3,5-6,8,12,19H,2,4,7,9-10H2,(H,21,23)
InChIKeyUSYKBRQQPOYFHT-UHFFFAOYSA-N
MW353.25 g/mol
LogP3.32
Rot. Bonds5

About N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrrolidin-2-ylacetamide

N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119696124) has the molecular formula C16H18Cl2N4O and a molecular weight of 353.25 g/mol. Its IUPAC name is N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrrolidin-2-ylacetamide
PubChem CID119696124
Molecular FormulaC16H18Cl2N4O
Molecular Weight353.25 g/mol
Exact Mass352.09
IUPAC NameN-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1ccnn1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H18Cl2N4O/c17-13-5-1-3-11(16(13)18)10-22-14(6-8-20-22)21-15(23)9-12-4-2-7-19-12/h1,3,5-6,8,12,19H,2,4,7,9-10H2,(H,21,23)
InChIKeyUSYKBRQQPOYFHT-UHFFFAOYSA-N
XLogP3.32
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 18096353
1-[[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122090605
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 24509870
3-amino-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119696113
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 24509765
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide;hydrochloride
CID 119696680
3-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 112799172
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide
CID 18193306
4-chloro-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-methylsulfonylbenzamide
CID 24509823
1-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-hydroxypropan-2-yl)urea
CID 119034354
2-pyrrolidin-2-yl-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]acetamide
CID 119865826
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 24509873

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrrolidin-2-ylacetamide (CID 119696124) is N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)Nc1ccnn1Cc1cccc(Cl)c1Cl.
What is the InChIKey of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is USYKBRQQPOYFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O/c17-13-5-1-3-11(16(13)18)10-22-14(6-8-20-22)21-15(23)9-12-4-2-7-19-12/h1,3,5-6,8,12,19H,2,4,7,9-10H2,(H,21,23).
What are the key properties of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrrolidin-2-ylacetamide?
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 353.25 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119696124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).