3-[5-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid

C15H21N5O3 — CID 19491787

IUPAC3-[5-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCCn1ncc(C(C)NC(=O)c2ccnn2CCC(=O)O)c1C
InChIInChI=1S/C15H21N5O3/c1-4-19-11(3)12(9-17-19)10(2)18-15(23)13-5-7-16-20(13)8-6-14(21)22/h5,7,9-10H,4,6,8H2,1-3H3,(H,18,23)(H,21,22)
InChIKeyPHZJMNGHHAKPHV-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.37
Rot. Bonds7

About 3-[5-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid

3-[5-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19491787) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 3-[5-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19491787
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name3-[5-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCCn1ncc(C(C)NC(=O)c2ccnn2CCC(=O)O)c1C
InChIInChI=1S/C15H21N5O3/c1-4-19-11(3)12(9-17-19)10(2)18-15(23)13-5-7-16-20(13)8-6-14(21)22/h5,7,9-10H,4,6,8H2,1-3H3,(H,18,23)(H,21,22)
InChIKeyPHZJMNGHHAKPHV-UHFFFAOYSA-N
XLogP1.37
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-[1-(1-ethylpyrazol-3-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19491892
3-[5-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19491997
3-[5-[[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19491840
4-bromo-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 19475122
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
3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide
CID 19541623
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide
CID 19467077
3-[3-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19623630
1-butyl-3-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]urea
CID 17267001
4-[[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]amino]-4-oxobutanoic acid
CID 51388652

Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid (CID 19491787) is 3-[5-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid is CCn1ncc(C(C)NC(=O)c2ccnn2CCC(=O)O)c1C.
What is the InChIKey of 3-[5-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is PHZJMNGHHAKPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-4-19-11(3)12(9-17-19)10(2)18-15(23)13-5-7-16-20(13)8-6-14(21)22/h5,7,9-10H,4,6,8H2,1-3H3,(H,18,23)(H,21,22).
What are the key properties of 3-[5-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid?
3-[5-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 319.37 g/mol, XLogP of 1.37, 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-ethyl-5-methylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19491787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).