3-[5-[1-(1-ethylpyrazol-3-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid

C14H19N5O3 — CID 19491892

IUPAC3-[5-[1-(1-ethylpyrazol-3-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCCn1ccc(C(C)NC(=O)c2ccnn2CCC(=O)O)n1
InChIInChI=1S/C14H19N5O3/c1-3-18-8-5-11(17-18)10(2)16-14(22)12-4-7-15-19(12)9-6-13(20)21/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,16,22)(H,20,21)
InChIKeyUNHHKDFEQQDPMU-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.07
Rot. Bonds7

About 3-[5-[1-(1-ethylpyrazol-3-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid

3-[5-[1-(1-ethylpyrazol-3-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19491892) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-[5-[1-(1-ethylpyrazol-3-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[1-(1-ethylpyrazol-3-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19491892
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name3-[5-[1-(1-ethylpyrazol-3-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCCn1ccc(C(C)NC(=O)c2ccnn2CCC(=O)O)n1
InChIInChI=1S/C14H19N5O3/c1-3-18-8-5-11(17-18)10(2)16-14(22)12-4-7-15-19(12)9-6-13(20)21/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,16,22)(H,20,21)
InChIKeyUNHHKDFEQQDPMU-UHFFFAOYSA-N
XLogP1.07
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19491787
3-[5-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19491997
N-[1-(1-ethylpyrazol-3-yl)ethyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 19522974
3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]propanamide
CID 19554061
1-ethyl-N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-methylpyrazole-4-carboxamide
CID 19474462
4-bromo-1-ethyl-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 19476841
3-[5-[[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19491840
2,3-dichloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide
CID 19462673
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]propanamide
CID 19543902
2-[5-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19482443
2-[5-[1-(4-butan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19482442
2-(2-carboxyethyl)pyrazole-3-carboxylic acid
CID 19494074

Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-(1-ethylpyrazol-3-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-[1-(1-ethylpyrazol-3-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid (CID 19491892) is 3-[5-[1-(1-ethylpyrazol-3-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-[1-(1-ethylpyrazol-3-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-[1-(1-ethylpyrazol-3-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid is CCn1ccc(C(C)NC(=O)c2ccnn2CCC(=O)O)n1.
What is the InChIKey of 3-[5-[1-(1-ethylpyrazol-3-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is UNHHKDFEQQDPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-3-18-8-5-11(17-18)10(2)16-14(22)12-4-7-15-19(12)9-6-13(20)21/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,16,22)(H,20,21).
What are the key properties of 3-[5-[1-(1-ethylpyrazol-3-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid?
3-[5-[1-(1-ethylpyrazol-3-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 305.34 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1-(1-ethylpyrazol-3-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19491892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).