2-[5-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid

C17H16ClN5O3 — CID 19485905

IUPAC2-[5-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1nccc1C(=O)Nc1ccn(Cc2ccccc2Cl)n1
InChIInChI=1S/C17H16ClN5O3/c1-11(17(25)26)23-14(6-8-19-23)16(24)20-15-7-9-22(21-15)10-12-4-2-3-5-13(12)18/h2-9,11H,10H2,1H3,(H,25,26)(H,20,21,24)
InChIKeyDHRDMEMLHUQVRX-UHFFFAOYSA-N
MW373.80 g/mol
LogP2.68
Rot. Bonds6

About 2-[5-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid

2-[5-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19485905) has the molecular formula C17H16ClN5O3 and a molecular weight of 373.80 g/mol. Its IUPAC name is 2-[5-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19485905
Molecular FormulaC17H16ClN5O3
Molecular Weight373.80 g/mol
Exact Mass373.09
IUPAC Name2-[5-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1nccc1C(=O)Nc1ccn(Cc2ccccc2Cl)n1
InChIInChI=1S/C17H16ClN5O3/c1-11(17(25)26)23-14(6-8-19-23)16(24)20-15-7-9-22(21-15)10-12-4-2-3-5-13(12)18/h2-9,11H,10H2,1H3,(H,25,26)(H,20,21,24)
InChIKeyDHRDMEMLHUQVRX-UHFFFAOYSA-N
XLogP2.68
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487546
2-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19285545
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19285346
4-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496154
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19285356
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19285284
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide
CID 19285520
2-[5-[[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487684
2-[5-[(1-benzyl-1,2,4-triazol-3-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487691
2-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285329
2-[4-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504677
2-[5-[[4-[(1-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487715

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[5-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid (CID 19485905) is 2-[5-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[5-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[5-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid is CC(C(=O)O)n1nccc1C(=O)Nc1ccn(Cc2ccccc2Cl)n1.
What is the InChIKey of 2-[5-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is DHRDMEMLHUQVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O3/c1-11(17(25)26)23-14(6-8-19-23)16(24)20-15-7-9-22(21-15)10-12-4-2-3-5-13(12)18/h2-9,11H,10H2,1H3,(H,25,26)(H,20,21,24).
What are the key properties of 2-[5-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
2-[5-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 373.80 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19485905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).