N-benzyl-N-tert-butyl-2-(4-chloropyrazol-1-yl)acetamide

C16H20ClN3O — CID 52731675

IUPACN-benzyl-N-tert-butyl-2-(4-chloropyrazol-1-yl)acetamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)Cn1cc(Cl)cn1
InChIInChI=1S/C16H20ClN3O/c1-16(2,3)20(10-13-7-5-4-6-8-13)15(21)12-19-11-14(17)9-18-19/h4-9,11H,10,12H2,1-3H3
InChIKeyCJJNOIGUUMTCAW-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.36
Rot. Bonds4

About N-benzyl-N-tert-butyl-2-(4-chloropyrazol-1-yl)acetamide

N-benzyl-N-tert-butyl-2-(4-chloropyrazol-1-yl)acetamide (PubChem CID 52731675) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is N-benzyl-N-tert-butyl-2-(4-chloropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-tert-butyl-2-(4-chloropyrazol-1-yl)acetamide
PubChem CID52731675
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC NameN-benzyl-N-tert-butyl-2-(4-chloropyrazol-1-yl)acetamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)Cn1cc(Cl)cn1
InChIInChI=1S/C16H20ClN3O/c1-16(2,3)20(10-13-7-5-4-6-8-13)15(21)12-19-11-14(17)9-18-19/h4-9,11H,10,12H2,1-3H3
InChIKeyCJJNOIGUUMTCAW-UHFFFAOYSA-N
XLogP3.36
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 14882325
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2-(benzimidazol-1-yl)-N-benzyl-N-tert-butylacetamide
CID 78761759
N-benzyl-N-tert-butyl-3,4-dichlorobenzamide
CID 888438
N-(1-benzylpyrazol-4-yl)-2-(4-chloropyrazol-1-yl)acetamide
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N-benzyl-N-tert-butyl-2,2,2-trichloroacetamide
CID 15830435
2-(4-chloropyrazol-1-yl)-1-(furan-2-yl)ethanone
CID 61034881
N-benzyl-N-tert-butyl-2-naphthalen-1-ylacetamide
CID 2203262
N-benzyl-N-tert-butyl-2-phenoxyacetamide
CID 2927672
N-benzyl-N-tert-butyl-2-(cyclopropylamino)acetamide
CID 54773142
N-benzyl-N-tert-butyl-2-(2,4-dichlorophenoxy)acetamide
CID 3303263
1-(4-chloropyrazol-1-yl)butan-2-one
CID 62040600

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-tert-butyl-2-(4-chloropyrazol-1-yl)acetamide?
The IUPAC name of N-benzyl-N-tert-butyl-2-(4-chloropyrazol-1-yl)acetamide (CID 52731675) is N-benzyl-N-tert-butyl-2-(4-chloropyrazol-1-yl)acetamide.
What is the SMILES notation for N-benzyl-N-tert-butyl-2-(4-chloropyrazol-1-yl)acetamide?
The canonical SMILES for N-benzyl-N-tert-butyl-2-(4-chloropyrazol-1-yl)acetamide is CC(C)(C)N(Cc1ccccc1)C(=O)Cn1cc(Cl)cn1.
What is the InChIKey of N-benzyl-N-tert-butyl-2-(4-chloropyrazol-1-yl)acetamide?
The InChIKey is CJJNOIGUUMTCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-16(2,3)20(10-13-7-5-4-6-8-13)15(21)12-19-11-14(17)9-18-19/h4-9,11H,10,12H2,1-3H3.
What are the key properties of N-benzyl-N-tert-butyl-2-(4-chloropyrazol-1-yl)acetamide?
N-benzyl-N-tert-butyl-2-(4-chloropyrazol-1-yl)acetamide has a molecular weight of 305.81 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-tert-butyl-2-(4-chloropyrazol-1-yl)acetamide is sourced from PubChem (CID 52731675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).