5-methyl-3-(propylamino)-1H-pyrazole-4-carboxylic acid

C8H13N3O2 — CID 19847525

IUPAC5-methyl-3-(propylamino)-1H-pyrazole-4-carboxylic acid
SMILESCCCNc1n[nH]c(C)c1C(=O)O
InChIInChI=1S/C8H13N3O2/c1-3-4-9-7-6(8(12)13)5(2)10-11-7/h3-4H2,1-2H3,(H,12,13)(H2,9,10,11)
InChIKeyAQXDZYKLOSTICD-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.24
Rot. Bonds4

About 5-methyl-3-(propylamino)-1H-pyrazole-4-carboxylic acid

5-methyl-3-(propylamino)-1H-pyrazole-4-carboxylic acid (PubChem CID 19847525) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-methyl-3-(propylamino)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-(propylamino)-1H-pyrazole-4-carboxylic acid
PubChem CID19847525
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name5-methyl-3-(propylamino)-1H-pyrazole-4-carboxylic acid
SMILESCCCNc1n[nH]c(C)c1C(=O)O
InChIInChI=1S/C8H13N3O2/c1-3-4-9-7-6(8(12)13)5(2)10-11-7/h3-4H2,1-2H3,(H,12,13)(H2,9,10,11)
InChIKeyAQXDZYKLOSTICD-UHFFFAOYSA-N
XLogP1.24
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(propylamino)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-methyl-3-(propylamino)-1H-pyrazole-4-carboxylic acid (CID 19847525) is 5-methyl-3-(propylamino)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-3-(propylamino)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-3-(propylamino)-1H-pyrazole-4-carboxylic acid is CCCNc1n[nH]c(C)c1C(=O)O.
What is the InChIKey of 5-methyl-3-(propylamino)-1H-pyrazole-4-carboxylic acid?
The InChIKey is AQXDZYKLOSTICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-3-4-9-7-6(8(12)13)5(2)10-11-7/h3-4H2,1-2H3,(H,12,13)(H2,9,10,11).
What are the key properties of 5-methyl-3-(propylamino)-1H-pyrazole-4-carboxylic acid?
5-methyl-3-(propylamino)-1H-pyrazole-4-carboxylic acid has a molecular weight of 183.21 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(propylamino)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 19847525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).