2-[5-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid

C12H15N5O3 — CID 19487657

IUPAC2-[5-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1nccc1C(=O)NCc1ccn(C)n1
InChIInChI=1S/C12H15N5O3/c1-8(12(19)20)17-10(3-5-14-17)11(18)13-7-9-4-6-16(2)15-9/h3-6,8H,7H2,1-2H3,(H,13,18)(H,19,20)
InChIKeyDWERVJLYQRJCGC-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.19
Rot. Bonds5

About 2-[5-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid

2-[5-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19487657) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[5-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19487657
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name2-[5-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1nccc1C(=O)NCc1ccn(C)n1
InChIInChI=1S/C12H15N5O3/c1-8(12(19)20)17-10(3-5-14-17)11(18)13-7-9-4-6-16(2)15-9/h3-6,8H,7H2,1-2H3,(H,13,18)(H,19,20)
InChIKeyDWERVJLYQRJCGC-UHFFFAOYSA-N
XLogP0.19
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]-3-oxopropanoic acid
CID 114898886
2-[5-[(1-ethyl-5-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19485920
(2S)-N-[(1-methylpyrazol-3-yl)methyl]-2-(4-phenylpyrazol-1-yl)propanamide
CID 100830781
2-[5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487828
2-[5-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19487864
2-(1-carboxyethyl)pyrazole-3-carboxylic acid
CID 19489942
2-[5-[3-(4-chloro-3-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19487678
2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]propanoic acid
CID 82873833
2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 19329164
2-bromo-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 107905639
2-[5-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19487635
3-methyl-2-[(1-methylpyrazol-3-yl)methylamino]butanoic acid
CID 82869167

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[5-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid (CID 19487657) is 2-[5-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[5-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[5-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid is CC(C(=O)O)n1nccc1C(=O)NCc1ccn(C)n1.
What is the InChIKey of 2-[5-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is DWERVJLYQRJCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-8(12(19)20)17-10(3-5-14-17)11(18)13-7-9-4-6-16(2)15-9/h3-6,8H,7H2,1-2H3,(H,13,18)(H,19,20).
What are the key properties of 2-[5-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid?
2-[5-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 277.28 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19487657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).