3-(3-ethoxypropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid

C11H17N3O4 — CID 19623940

IUPAC3-(3-ethoxypropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
SMILESCCOCCCNC(=O)c1nn(C)cc1C(=O)O
InChIInChI=1S/C11H17N3O4/c1-3-18-6-4-5-12-10(15)9-8(11(16)17)7-14(2)13-9/h7H,3-6H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyPZGSCESHCXZMAI-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.27
Rot. Bonds7

About 3-(3-ethoxypropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid

3-(3-ethoxypropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid (PubChem CID 19623940) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-(3-ethoxypropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-ethoxypropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
PubChem CID19623940
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name3-(3-ethoxypropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
SMILESCCOCCCNC(=O)c1nn(C)cc1C(=O)O
InChIInChI=1S/C11H17N3O4/c1-3-18-6-4-5-12-10(15)9-8(11(16)17)7-14(2)13-9/h7H,3-6H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyPZGSCESHCXZMAI-UHFFFAOYSA-N
XLogP0.27
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-(octadecylcarbamoyl)pyrazole-4-carboxylic acid
CID 19496514
4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide
CID 65354874
3-(hydrazinecarbonyl)-1-methylpyrazole-4-carboxylic acid
CID 25252406
3-(cyclopropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 15679514
1-[(4-chloro-1-methylpyrazole-3-carbonyl)amino]-3-(3-ethoxypropyl)thiourea
CID 3392098
3-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498431
N-[3-(2-chloroethoxy)propyl]-1,3-dimethylpyrazole-4-carboxamide
CID 106306554
4-amino-N-hexyl-1-methylpyrazole-3-carboxamide
CID 65354108
4-bromo-N-(3-ethoxypropyl)-1-methylpyrrole-2-carboxamide
CID 43411143
2-(2-ethoxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63615728
2-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489817
4-chloro-N-(3-ethoxypropyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19477120

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 3-(3-ethoxypropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid (CID 19623940) is 3-(3-ethoxypropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(3-ethoxypropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-(3-ethoxypropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid is CCOCCCNC(=O)c1nn(C)cc1C(=O)O.
What is the InChIKey of 3-(3-ethoxypropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid?
The InChIKey is PZGSCESHCXZMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-3-18-6-4-5-12-10(15)9-8(11(16)17)7-14(2)13-9/h7H,3-6H2,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 3-(3-ethoxypropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid?
3-(3-ethoxypropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 19623940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).