2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methylacetamide

C16H24ClN3O — CID 19450125

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methylacetamide
SMILESCCn1cc(Cl)c(CN(C)C(=O)CC2CC3CCC2C3)n1
InChIInChI=1S/C16H24ClN3O/c1-3-20-9-14(17)15(18-20)10-19(2)16(21)8-13-7-11-4-5-12(13)6-11/h9,11-13H,3-8,10H2,1-2H3
InChIKeyMMQBUMVDDVWWDZ-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.34
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methylacetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methylacetamide (PubChem CID 19450125) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methylacetamide
PubChem CID19450125
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methylacetamide
SMILESCCn1cc(Cl)c(CN(C)C(=O)CC2CC3CCC2C3)n1
InChIInChI=1S/C16H24ClN3O/c1-3-20-9-14(17)15(18-20)10-19(2)16(21)8-13-7-11-4-5-12(13)6-11/h9,11-13H,3-8,10H2,1-2H3
InChIKeyMMQBUMVDDVWWDZ-UHFFFAOYSA-N
XLogP3.34
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methylacetamide with MolForge

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Related Compounds

2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 21174252
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 11919743
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 18557275
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 98752000
2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide
CID 42910279
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 21174664
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-bicyclo[2.2.1]heptanyl)-N-methylacetamide
CID 51190190
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(5-methylpyrazol-1-yl)propanamide
CID 19558355
2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 51267331
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 11943982
1-(2-bicyclo[2.2.1]heptanyl)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 114965405
2-(2-bicyclo[2.2.1]heptanyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 78781581

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methylacetamide (CID 19450125) is 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methylacetamide is CCn1cc(Cl)c(CN(C)C(=O)CC2CC3CCC2C3)n1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methylacetamide?
The InChIKey is MMQBUMVDDVWWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-3-20-9-14(17)15(18-20)10-19(2)16(21)8-13-7-11-4-5-12(13)6-11/h9,11-13H,3-8,10H2,1-2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methylacetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methylacetamide has a molecular weight of 309.84 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 19450125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).