2-[5-[(1-ethyl-5-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid

C14H19N5O3 — CID 19485920

IUPAC2-[5-[(1-ethyl-5-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCCn1ncc(CNC(=O)c2ccnn2C(C)C(=O)O)c1C
InChIInChI=1S/C14H19N5O3/c1-4-18-9(2)11(8-17-18)7-15-13(20)12-5-6-16-19(12)10(3)14(21)22/h5-6,8,10H,4,7H2,1-3H3,(H,15,20)(H,21,22)
InChIKeyJFKHOPZYIMQTDA-UHFFFAOYSA-N
MW305.34 g/mol
LogP0.98
Rot. Bonds6

About 2-[5-[(1-ethyl-5-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid

2-[5-[(1-ethyl-5-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19485920) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-[5-[(1-ethyl-5-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-[(1-ethyl-5-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19485920
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name2-[5-[(1-ethyl-5-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCCn1ncc(CNC(=O)c2ccnn2C(C)C(=O)O)c1C
InChIInChI=1S/C14H19N5O3/c1-4-18-9(2)11(8-17-18)7-15-13(20)12-5-6-16-19(12)10(3)14(21)22/h5-6,8,10H,4,7H2,1-3H3,(H,15,20)(H,21,22)
InChIKeyJFKHOPZYIMQTDA-UHFFFAOYSA-N
XLogP0.98
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487755
2-[5-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19487657
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19290411
4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide
CID 19290546
2-[5-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487759
2-[5-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19487635
2-[5-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19487864
2-(1-carboxyethyl)pyrazole-3-carboxylic acid
CID 19489942
4-chloro-1-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19477226
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]butanamide
CID 19290534
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
CID 19290408
2-[5-(1-phenylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19487542

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(1-ethyl-5-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[5-[(1-ethyl-5-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid (CID 19485920) is 2-[5-[(1-ethyl-5-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[5-[(1-ethyl-5-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[5-[(1-ethyl-5-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid is CCn1ncc(CNC(=O)c2ccnn2C(C)C(=O)O)c1C.
What is the InChIKey of 2-[5-[(1-ethyl-5-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is JFKHOPZYIMQTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-4-18-9(2)11(8-17-18)7-15-13(20)12-5-6-16-19(12)10(3)14(21)22/h5-6,8,10H,4,7H2,1-3H3,(H,15,20)(H,21,22).
What are the key properties of 2-[5-[(1-ethyl-5-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid?
2-[5-[(1-ethyl-5-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 305.34 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(1-ethyl-5-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19485920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).