2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

C15H18ClN5O3 — CID 47068726

IUPAC2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CNc1ccn(CC(N)=O)n1
InChIInChI=1S/C15H18ClN5O3/c1-9-5-11(12(24-2)6-10(9)16)19-15(23)7-18-14-3-4-21(20-14)8-13(17)22/h3-6H,7-8H2,1-2H3,(H2,17,22)(H,18,20)(H,19,23)
InChIKeyOVKXARBMKZRAAX-UHFFFAOYSA-N
MW351.79 g/mol
LogP1.39
Rot. Bonds7

About 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide (PubChem CID 47068726) has the molecular formula C15H18ClN5O3 and a molecular weight of 351.79 g/mol. Its IUPAC name is 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
PubChem CID47068726
Molecular FormulaC15H18ClN5O3
Molecular Weight351.79 g/mol
Exact Mass351.11
IUPAC Name2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CNc1ccn(CC(N)=O)n1
InChIInChI=1S/C15H18ClN5O3/c1-9-5-11(12(24-2)6-10(9)16)19-15(23)7-18-14-3-4-21(20-14)8-13(17)22/h3-6H,7-8H2,1-2H3,(H2,17,22)(H,18,20)(H,19,23)
InChIKeyOVKXARBMKZRAAX-UHFFFAOYSA-N
XLogP1.39
TPSA111.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide (CID 47068726) is 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide is COc1cc(Cl)c(C)cc1NC(=O)CNc1ccn(CC(N)=O)n1.
What is the InChIKey of 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The InChIKey is OVKXARBMKZRAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O3/c1-9-5-11(12(24-2)6-10(9)16)19-15(23)7-18-14-3-4-21(20-14)8-13(17)22/h3-6H,7-8H2,1-2H3,(H2,17,22)(H,18,20)(H,19,23).
What are the key properties of 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide has a molecular weight of 351.79 g/mol, XLogP of 1.39, 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-(4-chloro-2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 47068726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).