2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide

C14H16ClN5O3 — CID 51091036

IUPAC2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CNc1ccn(CC(N)=O)n1
InChIInChI=1S/C14H16ClN5O3/c1-23-11-3-2-9(15)6-10(11)18-14(22)7-17-13-4-5-20(19-13)8-12(16)21/h2-6H,7-8H2,1H3,(H2,16,21)(H,17,19)(H,18,22)
InChIKeyOOPKZSVCOWYPMC-UHFFFAOYSA-N
MW337.77 g/mol
LogP1.08
Rot. Bonds7

About 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide

2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide (PubChem CID 51091036) has the molecular formula C14H16ClN5O3 and a molecular weight of 337.77 g/mol. Its IUPAC name is 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide
PubChem CID51091036
Molecular FormulaC14H16ClN5O3
Molecular Weight337.77 g/mol
Exact Mass337.09
IUPAC Name2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CNc1ccn(CC(N)=O)n1
InChIInChI=1S/C14H16ClN5O3/c1-23-11-3-2-9(15)6-10(11)18-14(22)7-17-13-4-5-20(19-13)8-12(16)21/h2-6H,7-8H2,1H3,(H2,16,21)(H,17,19)(H,18,22)
InChIKeyOOPKZSVCOWYPMC-UHFFFAOYSA-N
XLogP1.08
TPSA111.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-Chloro-2-methoxyphenyl)-3-(1,3-dimethylpyrazol-4-yl)urea
CID 2811436
N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 8239952
N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
CID 9328322
N-(5-chloro-2-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 711713
2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 47068725
2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 47068726
2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 71998210
1-(5-Chloro-2-methoxyphenyl)-3-[2-(4-chloro-1-pyrazolyl)ethyl]thiourea
CID 971629
N-(5-chloro-2-methoxyphenyl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 749086
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 3106235
2-(1-(tert-butyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 7118717
N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide
CID 16958288

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide?
The IUPAC name of 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide (CID 51091036) is 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide is COc1ccc(Cl)cc1NC(=O)CNc1ccn(CC(N)=O)n1.
What is the InChIKey of 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide?
The InChIKey is OOPKZSVCOWYPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O3/c1-23-11-3-2-9(15)6-10(11)18-14(22)7-17-13-4-5-20(19-13)8-12(16)21/h2-6H,7-8H2,1H3,(H2,16,21)(H,17,19)(H,18,22).
What are the key properties of 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide?
2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide has a molecular weight of 337.77 g/mol, XLogP of 1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 51091036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).