2-[5-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]propanoic acid

C15H20ClN5O3 — CID 19487635

IUPAC2-[5-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCc1nn(CCCNC(=O)c2ccnn2C(C)C(=O)O)c(C)c1Cl
InChIInChI=1S/C15H20ClN5O3/c1-9-13(16)10(2)20(19-9)8-4-6-17-14(22)12-5-7-18-21(12)11(3)15(23)24/h5,7,11H,4,6,8H2,1-3H3,(H,17,22)(H,23,24)
InChIKeyMHTGHLXAWMUYBK-UHFFFAOYSA-N
MW353.81 g/mol
LogP1.82
Rot. Bonds7

About 2-[5-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]propanoic acid

2-[5-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19487635) has the molecular formula C15H20ClN5O3 and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-[5-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19487635
Molecular FormulaC15H20ClN5O3
Molecular Weight353.81 g/mol
Exact Mass353.13
IUPAC Name2-[5-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCc1nn(CCCNC(=O)c2ccnn2C(C)C(=O)O)c(C)c1Cl
InChIInChI=1S/C15H20ClN5O3/c1-9-13(16)10(2)20(19-9)8-4-6-17-14(22)12-5-7-18-21(12)11(3)15(23)24/h5,7,11H,4,6,8H2,1-3H3,(H,17,22)(H,23,24)
InChIKeyMHTGHLXAWMUYBK-UHFFFAOYSA-N
XLogP1.82
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-[3-(4-chloro-3-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19487678
3-[5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19491990
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 70761740
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylbenzamide
CID 19295543
2-[3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500222
2-[5-[(1-ethyl-5-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19485920
2-[5-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19487657
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-pyridin-3-ylacetamide
CID 91778395
4-bromo-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266245
2-[5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487828
2-[5-[[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487672
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448179

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[5-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]propanoic acid (CID 19487635) is 2-[5-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[5-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[5-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]propanoic acid is Cc1nn(CCCNC(=O)c2ccnn2C(C)C(=O)O)c(C)c1Cl.
What is the InChIKey of 2-[5-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is MHTGHLXAWMUYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O3/c1-9-13(16)10(2)20(19-9)8-4-6-17-14(22)12-5-7-18-21(12)11(3)15(23)24/h5,7,11H,4,6,8H2,1-3H3,(H,17,22)(H,23,24).
What are the key properties of 2-[5-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]propanoic acid?
2-[5-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 353.81 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19487635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).