3-[3-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid

C14H19N5O3 — CID 19623636

IUPAC3-[3-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCc1nn(C)cc1C(C)NC(=O)c1ccn(CCC(=O)O)n1
InChIInChI=1S/C14H19N5O3/c1-9(11-8-18(3)16-10(11)2)15-14(22)12-4-6-19(17-12)7-5-13(20)21/h4,6,8-9H,5,7H2,1-3H3,(H,15,22)(H,20,21)
InChIKeyQXWKWIZCHDQYBM-UHFFFAOYSA-N
MW305.34 g/mol
LogP0.89
Rot. Bonds6

About 3-[3-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid

3-[3-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19623636) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-[3-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19623636
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name3-[3-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCc1nn(C)cc1C(C)NC(=O)c1ccn(CCC(=O)O)n1
InChIInChI=1S/C14H19N5O3/c1-9(11-8-18(3)16-10(11)2)15-14(22)12-4-6-19(17-12)7-5-13(20)21/h4,6,8-9H,5,7H2,1-3H3,(H,15,22)(H,20,21)
InChIKeyQXWKWIZCHDQYBM-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19623630
3-[3-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19506544
1-[3-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19621893
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-(methoxymethyl)pyrazole-3-carboxamide
CID 19270846
3-[3-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19470499
3-[3-[(4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506568
2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride
CID 119944858
4-chloro-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 4744970
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyridazine-4-carboxamide
CID 146122778
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzamide
CID 19466965
1-[(4-bromopyrazol-1-yl)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 19271760
3-[3-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19623635

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[3-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid (CID 19623636) is 3-[3-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[3-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid is Cc1nn(C)cc1C(C)NC(=O)c1ccn(CCC(=O)O)n1.
What is the InChIKey of 3-[3-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is QXWKWIZCHDQYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-9(11-8-18(3)16-10(11)2)15-14(22)12-4-6-19(17-12)7-5-13(20)21/h4,6,8-9H,5,7H2,1-3H3,(H,15,22)(H,20,21).
What are the key properties of 3-[3-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid?
3-[3-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 305.34 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19623636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).