4-(3-methoxypropylcarbamoyl)-1-methylpyrazole-5-carboxylic acid

C10H15N3O4 — CID 19623815

IUPAC4-(3-methoxypropylcarbamoyl)-1-methylpyrazole-5-carboxylic acid
SMILESCOCCCNC(=O)c1cnn(C)c1C(=O)O
InChIInChI=1S/C10H15N3O4/c1-13-8(10(15)16)7(6-12-13)9(14)11-4-3-5-17-2/h6H,3-5H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyAKKJAPQQCVRSJW-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.12
Rot. Bonds6

About 4-(3-methoxypropylcarbamoyl)-1-methylpyrazole-5-carboxylic acid

4-(3-methoxypropylcarbamoyl)-1-methylpyrazole-5-carboxylic acid (PubChem CID 19623815) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-(3-methoxypropylcarbamoyl)-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(3-methoxypropylcarbamoyl)-1-methylpyrazole-5-carboxylic acid
PubChem CID19623815
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name4-(3-methoxypropylcarbamoyl)-1-methylpyrazole-5-carboxylic acid
SMILESCOCCCNC(=O)c1cnn(C)c1C(=O)O
InChIInChI=1S/C10H15N3O4/c1-13-8(10(15)16)7(6-12-13)9(14)11-4-3-5-17-2/h6H,3-5H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyAKKJAPQQCVRSJW-UHFFFAOYSA-N
XLogP-0.12
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.12
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

5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide
CID 82547322
1-methyl-4-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylic acid
CID 19623863
5-amino-N-[4-(2-methoxyethoxy)butyl]-1-methylpyrazole-4-carboxamide
CID 104587708
1-methyl-4-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazole-5-carboxylic acid
CID 19623851
1-methylpyrazole-4,5-dicarboxylic acid
CID 19623309
N-[3-(2-hydroxyethoxy)propyl]-1,5-dimethylpyrazole-4-carboxamide
CID 113364754
N-(3-methoxypropyl)-2-methyltriazole-4-carboxamide
CID 110691359
N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide
CID 19475749
5-amino-N-butyl-1-methylpyrazole-4-carboxamide
CID 80503275
5-(2-methoxyethylamino)-1-methylpyrazole-4-carboxylic acid
CID 142758448
5-amino-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-4-carboxamide
CID 115330672
N-(3-butoxypropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38028641

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropylcarbamoyl)-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-(3-methoxypropylcarbamoyl)-1-methylpyrazole-5-carboxylic acid (CID 19623815) is 4-(3-methoxypropylcarbamoyl)-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-(3-methoxypropylcarbamoyl)-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-(3-methoxypropylcarbamoyl)-1-methylpyrazole-5-carboxylic acid is COCCCNC(=O)c1cnn(C)c1C(=O)O.
What is the InChIKey of 4-(3-methoxypropylcarbamoyl)-1-methylpyrazole-5-carboxylic acid?
The InChIKey is AKKJAPQQCVRSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-13-8(10(15)16)7(6-12-13)9(14)11-4-3-5-17-2/h6H,3-5H2,1-2H3,(H,11,14)(H,15,16).
What are the key properties of 4-(3-methoxypropylcarbamoyl)-1-methylpyrazole-5-carboxylic acid?
4-(3-methoxypropylcarbamoyl)-1-methylpyrazole-5-carboxylic acid has a molecular weight of 241.25 g/mol, XLogP of -0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropylcarbamoyl)-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 19623815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).