2-[5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid

C15H21N5O3 — CID 19485845

IUPAC2-[5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCc1nn(C)c(C)c1CN(C)C(=O)c1ccnn1C(C)C(=O)O
InChIInChI=1S/C15H21N5O3/c1-9-12(10(2)19(5)17-9)8-18(4)14(21)13-6-7-16-20(13)11(3)15(22)23/h6-7,11H,8H2,1-5H3,(H,22,23)
InChIKeyUXFWVBCTSTXHDL-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.15
Rot. Bonds5

About 2-[5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid

2-[5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19485845) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-[5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19485845
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name2-[5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCc1nn(C)c(C)c1CN(C)C(=O)c1ccnn1C(C)C(=O)O
InChIInChI=1S/C15H21N5O3/c1-9-12(10(2)19(5)17-9)8-18(4)14(21)13-6-7-16-20(13)11(3)15(22)23/h6-7,11H,8H2,1-5H3,(H,22,23)
InChIKeyUXFWVBCTSTXHDL-UHFFFAOYSA-N
XLogP1.15
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid with MolForge

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Related Compounds

N-methyl-1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 70716625
N,1,3,5-tetramethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19477956
2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propanoic acid
CID 64686967
1-methyl-4-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazole-5-carboxylic acid
CID 19623887
3-[5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl-methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19490092
4-bromo-N,1,3-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19478610
2-(1-carboxyethyl)pyrazole-3-carboxylic acid
CID 19489942
4-iodo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19277979
1-(2-methylpyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105100408
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(difluoromethyl)-N-methylpyrazole-3-carboxamide
CID 19478714
1-methyl-3-[(1-methylimidazol-2-yl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 119067480
2-[5-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19487635

Frequently Asked Questions

What is the IUPAC name of 2-[5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid (CID 19485845) is 2-[5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid is Cc1nn(C)c(C)c1CN(C)C(=O)c1ccnn1C(C)C(=O)O.
What is the InChIKey of 2-[5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is UXFWVBCTSTXHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-9-12(10(2)19(5)17-9)8-18(4)14(21)13-6-7-16-20(13)11(3)15(22)23/h6-7,11H,8H2,1-5H3,(H,22,23).
What are the key properties of 2-[5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid?
2-[5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 319.37 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19485845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).