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

C12H15N5O3 — CID 19504805

IUPAC2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCCn1cc(NC(=O)c2cnn(C(C)C(=O)O)c2)cn1
InChIInChI=1S/C12H15N5O3/c1-3-16-7-10(5-13-16)15-11(18)9-4-14-17(6-9)8(2)12(19)20/h4-8H,3H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyXABFFNUSOVPHKI-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.00
Rot. Bonds5

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

2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19504805) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19504805
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCCn1cc(NC(=O)c2cnn(C(C)C(=O)O)c2)cn1
InChIInChI=1S/C12H15N5O3/c1-3-16-7-10(5-13-16)15-11(18)9-4-14-17(6-9)8(2)12(19)20/h4-8H,3H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyXABFFNUSOVPHKI-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504753
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500808
2-[4-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504722
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
2-[4-[(3,4-dichlorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19502903
2-[4-[[3,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19502866
2-[4-[(4-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19622155
2-[4-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19504757
2-[3-[[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504318
2-[4-(3-ethoxypropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622068
4-amino-N-(1-ethylpyrazol-4-yl)benzamide
CID 43543193
2-[4-(diethylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622048

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid (CID 19504805) is 2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid is CCn1cc(NC(=O)c2cnn(C(C)C(=O)O)c2)cn1.
What is the InChIKey of 2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is XABFFNUSOVPHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-3-16-7-10(5-13-16)15-11(18)9-4-14-17(6-9)8(2)12(19)20/h4-8H,3H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid?
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 277.28 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19504805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).