2-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-5-propan-2-yloxybenzoic acid

C16H18ClN3O4 — CID 167955045

IUPAC2-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-5-propan-2-yloxybenzoic acid
SMILESCc1c(Cl)cnn1CC(=O)Nc1ccc(OC(C)C)cc1C(=O)O
InChIInChI=1S/C16H18ClN3O4/c1-9(2)24-11-4-5-14(12(6-11)16(22)23)19-15(21)8-20-10(3)13(17)7-18-20/h4-7,9H,8H2,1-3H3,(H,19,21)(H,22,23)
InChIKeyPXPUKAYNOWJUHQ-UHFFFAOYSA-N
MW351.79 g/mol
LogP2.97
Rot. Bonds6

About 2-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-5-propan-2-yloxybenzoic acid

2-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-5-propan-2-yloxybenzoic acid (PubChem CID 167955045) has the molecular formula C16H18ClN3O4 and a molecular weight of 351.79 g/mol. Its IUPAC name is 2-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-5-propan-2-yloxybenzoic acid.

Molecular Properties

Compound Name2-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-5-propan-2-yloxybenzoic acid
PubChem CID167955045
Molecular FormulaC16H18ClN3O4
Molecular Weight351.79 g/mol
Exact Mass351.10
IUPAC Name2-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-5-propan-2-yloxybenzoic acid
SMILESCc1c(Cl)cnn1CC(=O)Nc1ccc(OC(C)C)cc1C(=O)O
InChIInChI=1S/C16H18ClN3O4/c1-9(2)24-11-4-5-14(12(6-11)16(22)23)19-15(21)8-20-10(3)13(17)7-18-20/h4-7,9H,8H2,1-3H3,(H,19,21)(H,22,23)
InChIKeyPXPUKAYNOWJUHQ-UHFFFAOYSA-N
XLogP2.97
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
CID 19520530
2-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 19520566
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
CID 19520668
2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 19520612
2-(4-chloro-5-methylpyrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 19393480
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide
CID 19469013
methyl 4-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19520772
2-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]acetamide
CID 19520658
ethyl (2R)-2-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-3-sulfanylpropanoate
CID 19520618
1-(2-chloro-4-propan-2-yloxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 99823736
5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-2-fluorobenzoic acid
CID 114012248
2-(4-chloro-5-methylpyrazol-1-yl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 19520820

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-5-propan-2-yloxybenzoic acid?
The IUPAC name of 2-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-5-propan-2-yloxybenzoic acid (CID 167955045) is 2-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-5-propan-2-yloxybenzoic acid.
What is the SMILES notation for 2-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-5-propan-2-yloxybenzoic acid?
The canonical SMILES for 2-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-5-propan-2-yloxybenzoic acid is Cc1c(Cl)cnn1CC(=O)Nc1ccc(OC(C)C)cc1C(=O)O.
What is the InChIKey of 2-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-5-propan-2-yloxybenzoic acid?
The InChIKey is PXPUKAYNOWJUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4/c1-9(2)24-11-4-5-14(12(6-11)16(22)23)19-15(21)8-20-10(3)13(17)7-18-20/h4-7,9H,8H2,1-3H3,(H,19,21)(H,22,23).
What are the key properties of 2-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-5-propan-2-yloxybenzoic acid?
2-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-5-propan-2-yloxybenzoic acid has a molecular weight of 351.79 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-5-propan-2-yloxybenzoic acid is sourced from PubChem (CID 167955045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).