2-(3-aminopyrazol-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide

C13H15ClN4O3 — CID 62102210

IUPAC2-(3-aminopyrazol-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cn2ccc(N)n2)c(OC)cc1Cl
InChIInChI=1S/C13H15ClN4O3/c1-20-10-6-9(11(21-2)5-8(10)14)16-13(19)7-18-4-3-12(15)17-18/h3-6H,7H2,1-2H3,(H2,15,17)(H,16,19)
InChIKeyBYRHVLVZLKUMRS-UHFFFAOYSA-N
MW310.74 g/mol
LogP1.77
Rot. Bonds5

About 2-(3-aminopyrazol-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide

2-(3-aminopyrazol-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide (PubChem CID 62102210) has the molecular formula C13H15ClN4O3 and a molecular weight of 310.74 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
PubChem CID62102210
Molecular FormulaC13H15ClN4O3
Molecular Weight310.74 g/mol
Exact Mass310.08
IUPAC Name2-(3-aminopyrazol-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cn2ccc(N)n2)c(OC)cc1Cl
InChIInChI=1S/C13H15ClN4O3/c1-20-10-6-9(11(21-2)5-8(10)14)16-13(19)7-18-4-3-12(15)17-18/h3-6H,7H2,1-2H3,(H2,15,17)(H,16,19)
InChIKeyBYRHVLVZLKUMRS-UHFFFAOYSA-N
XLogP1.77
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26877145
2-(3-aminopyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 55024845
2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 6469154
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 17378547
methyl 4-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-3-methylbenzoate
CID 62112057
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195930
2-amino-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24690060
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dichloroanilino)acetamide
CID 42026344
2-(3-aminopyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 62102678
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide
CID 146131833
2-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 110687101
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 8501521

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide (CID 62102210) is 2-(3-aminopyrazol-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide is COc1cc(NC(=O)Cn2ccc(N)n2)c(OC)cc1Cl.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The InChIKey is BYRHVLVZLKUMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O3/c1-20-10-6-9(11(21-2)5-8(10)14)16-13(19)7-18-4-3-12(15)17-18/h3-6H,7H2,1-2H3,(H2,15,17)(H,16,19).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
2-(3-aminopyrazol-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide has a molecular weight of 310.74 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 62102210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).