2-[4-[[3,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid

C17H17N3O7 — CID 19502866

IUPAC2-[4-[[3,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCOC(=O)c1cc(NC(=O)c2cnn(C(C)C(=O)O)c2)cc(C(=O)OC)c1
InChIInChI=1S/C17H17N3O7/c1-9(15(22)23)20-8-12(7-18-20)14(21)19-13-5-10(16(24)26-2)4-11(6-13)17(25)27-3/h4-9H,1-3H3,(H,19,21)(H,22,23)
InChIKeyDGJVSNIAUJEBNQ-UHFFFAOYSA-N
MW375.34 g/mol
LogP1.35
Rot. Bonds6

About 2-[4-[[3,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid

2-[4-[[3,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19502866) has the molecular formula C17H17N3O7 and a molecular weight of 375.34 g/mol. Its IUPAC name is 2-[4-[[3,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[[3,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19502866
Molecular FormulaC17H17N3O7
Molecular Weight375.34 g/mol
Exact Mass375.11
IUPAC Name2-[4-[[3,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCOC(=O)c1cc(NC(=O)c2cnn(C(C)C(=O)O)c2)cc(C(=O)OC)c1
InChIInChI=1S/C17H17N3O7/c1-9(15(22)23)20-8-12(7-18-20)14(21)19-13-5-10(16(24)26-2)4-11(6-13)17(25)27-3/h4-9H,1-3H3,(H,19,21)(H,22,23)
InChIKeyDGJVSNIAUJEBNQ-UHFFFAOYSA-N
XLogP1.35
TPSA136.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[(4-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19622155
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504805
2-[4-[(2,6-dichlorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19502901
methyl 1-propan-2-ylpyrazole-4-carboxylate
CID 55291716
2-(4-carbamoylpyrazol-1-yl)propanoic acid
CID 19623315
2-[4-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504722
dimethyl 5-[(3-propan-2-yloxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 1339052
2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622105
2-[4-(3-ethoxypropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622068
dimethyl 5-[[3-[3,5-bis(methoxycarbonyl)anilino]-2-methyl-3-oxopropanoyl]amino]benzene-1,3-dicarboxylate
CID 71122038
N-methoxy-1-propan-2-ylpyrazole-4-carboxamide
CID 130683619
dimethyl 5-acetamidobenzene-1,3-dicarboxylate
CID 610627

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[4-[[3,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid (CID 19502866) is 2-[4-[[3,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[[3,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[[3,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid is COC(=O)c1cc(NC(=O)c2cnn(C(C)C(=O)O)c2)cc(C(=O)OC)c1.
What is the InChIKey of 2-[4-[[3,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is DGJVSNIAUJEBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O7/c1-9(15(22)23)20-8-12(7-18-20)14(21)19-13-5-10(16(24)26-2)4-11(6-13)17(25)27-3/h4-9H,1-3H3,(H,19,21)(H,22,23).
What are the key properties of 2-[4-[[3,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid?
2-[4-[[3,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 375.34 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19502866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).