3-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid

C13H17N5O3 — CID 19623624

IUPAC3-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccn(CCC(=O)O)n1
InChIInChI=1S/C13H17N5O3/c1-16(8-10-7-14-17(2)9-10)13(21)11-3-5-18(15-11)6-4-12(19)20/h3,5,7,9H,4,6,8H2,1-2H3,(H,19,20)
InChIKeyFYGJHUQPZDKPQL-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.36
Rot. Bonds6

About 3-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid

3-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19623624) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19623624
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name3-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccn(CCC(=O)O)n1
InChIInChI=1S/C13H17N5O3/c1-16(8-10-7-14-17(2)9-10)13(21)11-3-5-18(15-11)6-4-12(19)20/h3,5,7,9H,4,6,8H2,1-2H3,(H,19,20)
InChIKeyFYGJHUQPZDKPQL-UHFFFAOYSA-N
XLogP0.36
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19278925
1-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19278731
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19278361
N-methyl-5-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 104640906
2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 61440246
N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxopyridine-3-carboxamide
CID 146086977
2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 60715430
5-[3-(dimethylcarbamoyl)pyrazol-1-yl]pentanoic acid
CID 64777811
4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid
CID 61442435
4-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid
CID 64780921
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441333
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151

Frequently Asked Questions

What is the IUPAC name of 3-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid (CID 19623624) is 3-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid is CN(Cc1cnn(C)c1)C(=O)c1ccn(CCC(=O)O)n1.
What is the InChIKey of 3-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is FYGJHUQPZDKPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-16(8-10-7-14-17(2)9-10)13(21)11-3-5-18(15-11)6-4-12(19)20/h3,5,7,9H,4,6,8H2,1-2H3,(H,19,20).
What are the key properties of 3-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid?
3-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 291.31 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19623624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).