2-[4-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid

C13H17N5O4 — CID 19504753

IUPAC2-[4-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCCOCn1cc(NC(=O)c2cnn(C(C)C(=O)O)c2)cn1
InChIInChI=1S/C13H17N5O4/c1-3-22-8-17-7-11(5-14-17)16-12(19)10-4-15-18(6-10)9(2)13(20)21/h4-7,9H,3,8H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyMKDWRSSZBDLGIS-UHFFFAOYSA-N
MW307.31 g/mol
LogP0.97
Rot. Bonds7

About 2-[4-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid

2-[4-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19504753) has the molecular formula C13H17N5O4 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-[4-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19504753
Molecular FormulaC13H17N5O4
Molecular Weight307.31 g/mol
Exact Mass307.13
IUPAC Name2-[4-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCCOCn1cc(NC(=O)c2cnn(C(C)C(=O)O)c2)cn1
InChIInChI=1S/C13H17N5O4/c1-3-22-8-17-7-11(5-14-17)16-12(19)10-4-15-18(6-10)9(2)13(20)21/h4-7,9H,3,8H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyMKDWRSSZBDLGIS-UHFFFAOYSA-N
XLogP0.97
TPSA111.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504805
2-[4-(3-ethoxypropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622068
2-[5-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487759
N-[1-(ethoxymethyl)pyrazol-4-yl]-4-fluorobenzamide
CID 19340648
N-[1-(ethoxymethyl)pyrazol-4-yl]-3,4-dimethylbenzamide
CID 19340608
2-[4-[(4-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19622155
2-[4-[[3,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19502866
N-[1-(ethoxymethyl)pyrazol-4-yl]-3,5-dinitrobenzamide
CID 19340493
2-[4-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19504757
N-[1-(ethoxymethyl)pyrazol-4-yl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474460
2-[4-[(3,4-dichlorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19502903
2-[4-(diethylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622048

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[4-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid (CID 19504753) is 2-[4-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid is CCOCn1cc(NC(=O)c2cnn(C(C)C(=O)O)c2)cn1.
What is the InChIKey of 2-[4-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is MKDWRSSZBDLGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O4/c1-3-22-8-17-7-11(5-14-17)16-12(19)10-4-15-18(6-10)9(2)13(20)21/h4-7,9H,3,8H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 2-[4-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
2-[4-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 307.31 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19504753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).