2-(3-chloro-2-ethoxyphenyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide

C16H18ClN5O2 — CID 136898518

IUPAC2-(3-chloro-2-ethoxyphenyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide
SMILESCCOc1c(Cl)cccc1CC(=O)Nc1[nH]nc2c1c(C)nn2C
InChIInChI=1S/C16H18ClN5O2/c1-4-24-14-10(6-5-7-11(14)17)8-12(23)18-15-13-9(2)21-22(3)16(13)20-19-15/h5-7H,4,8H2,1-3H3,(H2,18,19,20,23)
InChIKeyIGXDGOJPRUZNJJ-UHFFFAOYSA-N
MW347.81 g/mol
LogP2.84
Rot. Bonds5

About 2-(3-chloro-2-ethoxyphenyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide

2-(3-chloro-2-ethoxyphenyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide (PubChem CID 136898518) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is 2-(3-chloro-2-ethoxyphenyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-ethoxyphenyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide
PubChem CID136898518
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC Name2-(3-chloro-2-ethoxyphenyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide
SMILESCCOc1c(Cl)cccc1CC(=O)Nc1[nH]nc2c1c(C)nn2C
InChIInChI=1S/C16H18ClN5O2/c1-4-24-14-10(6-5-7-11(14)17)8-12(23)18-15-13-9(2)21-22(3)16(13)20-19-15/h5-7H,4,8H2,1-3H3,(H2,18,19,20,23)
InChIKeyIGXDGOJPRUZNJJ-UHFFFAOYSA-N
XLogP2.84
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-2-ethoxyphenyl)acetic acid
CID 75525846
(Z)-N-[2-[(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 136911606
3-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide
CID 137049932
N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(1-hydroxycyclohexyl)acetamide
CID 136926147
cis-(1R,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 136759892
trans-(1S,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 136759889
2-[(1S,2R)-2-aminocyclopentyl]-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide;hydrochloride
CID 137169883
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2-ethoxyphenyl)methyl]urea
CID 146124549
1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
CID 58664109
2-(3-chloro-2-ethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 167905816
N-(2-chlorophenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide
CID 50791355
ethyl 2-[2-chloro-6-(methylaminomethyl)phenoxy]acetate
CID 112608576

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-ethoxyphenyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide?
The IUPAC name of 2-(3-chloro-2-ethoxyphenyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide (CID 136898518) is 2-(3-chloro-2-ethoxyphenyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-chloro-2-ethoxyphenyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(3-chloro-2-ethoxyphenyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide is CCOc1c(Cl)cccc1CC(=O)Nc1[nH]nc2c1c(C)nn2C.
What is the InChIKey of 2-(3-chloro-2-ethoxyphenyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide?
The InChIKey is IGXDGOJPRUZNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O2/c1-4-24-14-10(6-5-7-11(14)17)8-12(23)18-15-13-9(2)21-22(3)16(13)20-19-15/h5-7H,4,8H2,1-3H3,(H2,18,19,20,23).
What are the key properties of 2-(3-chloro-2-ethoxyphenyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide?
2-(3-chloro-2-ethoxyphenyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide has a molecular weight of 347.81 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-ethoxyphenyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide is sourced from PubChem (CID 136898518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).