2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-2-cyclopropylacetic acid

C16H16ClN3O3 — CID 120521274

IUPAC2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-2-cyclopropylacetic acid
SMILESCc1cn(-c2ccccc2Cl)nc1C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C16H16ClN3O3/c1-9-8-20(12-5-3-2-4-11(12)17)19-13(9)15(21)18-14(16(22)23)10-6-7-10/h2-5,8,10,14H,6-7H2,1H3,(H,18,21)(H,22,23)
InChIKeyPARIJUBNOIDTRA-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.43
Rot. Bonds5

About 2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-2-cyclopropylacetic acid

2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-2-cyclopropylacetic acid (PubChem CID 120521274) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is 2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-2-cyclopropylacetic acid
PubChem CID120521274
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Name2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-2-cyclopropylacetic acid
SMILESCc1cn(-c2ccccc2Cl)nc1C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C16H16ClN3O3/c1-9-8-20(12-5-3-2-4-11(12)17)19-13(9)15(21)18-14(16(22)23)10-6-7-10/h2-5,8,10,14H,6-7H2,1H3,(H,18,21)(H,22,23)
InChIKeyPARIJUBNOIDTRA-UHFFFAOYSA-N
XLogP2.43
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-2-cyclopropylacetic acid (CID 120521274) is 2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-2-cyclopropylacetic acid is Cc1cn(-c2ccccc2Cl)nc1C(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-2-cyclopropylacetic acid?
The InChIKey is PARIJUBNOIDTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-9-8-20(12-5-3-2-4-11(12)17)19-13(9)15(21)18-14(16(22)23)10-6-7-10/h2-5,8,10,14H,6-7H2,1H3,(H,18,21)(H,22,23).
What are the key properties of 2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-2-cyclopropylacetic acid?
2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-2-cyclopropylacetic acid has a molecular weight of 333.78 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 120521274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).