1,3-dimethyl-5-[methyl(propyl)amino]pyrazole-4-carboxylic acid

C10H17N3O2 — CID 43271415

IUPAC1,3-dimethyl-5-[methyl(propyl)amino]pyrazole-4-carboxylic acid
SMILESCCCN(C)c1c(C(=O)O)c(C)nn1C
InChIInChI=1S/C10H17N3O2/c1-5-6-12(3)9-8(10(14)15)7(2)11-13(9)4/h5-6H2,1-4H3,(H,14,15)
InChIKeyAMRVYKXNRWAVIQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.27
Rot. Bonds4

About 1,3-dimethyl-5-[methyl(propyl)amino]pyrazole-4-carboxylic acid

1,3-dimethyl-5-[methyl(propyl)amino]pyrazole-4-carboxylic acid (PubChem CID 43271415) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1,3-dimethyl-5-[methyl(propyl)amino]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-5-[methyl(propyl)amino]pyrazole-4-carboxylic acid
PubChem CID43271415
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1,3-dimethyl-5-[methyl(propyl)amino]pyrazole-4-carboxylic acid
SMILESCCCN(C)c1c(C(=O)O)c(C)nn1C
InChIInChI=1S/C10H17N3O2/c1-5-6-12(3)9-8(10(14)15)7(2)11-13(9)4/h5-6H2,1-4H3,(H,14,15)
InChIKeyAMRVYKXNRWAVIQ-UHFFFAOYSA-N
XLogP1.27
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[methyl(propyl)amino]pyrazole-4-carboxylic acid?
The IUPAC name of 1,3-dimethyl-5-[methyl(propyl)amino]pyrazole-4-carboxylic acid (CID 43271415) is 1,3-dimethyl-5-[methyl(propyl)amino]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-5-[methyl(propyl)amino]pyrazole-4-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-5-[methyl(propyl)amino]pyrazole-4-carboxylic acid is CCCN(C)c1c(C(=O)O)c(C)nn1C.
What is the InChIKey of 1,3-dimethyl-5-[methyl(propyl)amino]pyrazole-4-carboxylic acid?
The InChIKey is AMRVYKXNRWAVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-5-6-12(3)9-8(10(14)15)7(2)11-13(9)4/h5-6H2,1-4H3,(H,14,15).
What are the key properties of 1,3-dimethyl-5-[methyl(propyl)amino]pyrazole-4-carboxylic acid?
1,3-dimethyl-5-[methyl(propyl)amino]pyrazole-4-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[methyl(propyl)amino]pyrazole-4-carboxylic acid is sourced from PubChem (CID 43271415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).