5-[cyclopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid

C11H17N3O2 — CID 43264330

IUPAC5-[cyclopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid
SMILESCCN(c1c(C(=O)O)c(C)nn1C)C1CC1
InChIInChI=1S/C11H17N3O2/c1-4-14(8-5-6-8)10-9(11(15)16)7(2)12-13(10)3/h8H,4-6H2,1-3H3,(H,15,16)
InChIKeyZGBFEIIRQNMAQQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.42
Rot. Bonds4

About 5-[cyclopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid

5-[cyclopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid (PubChem CID 43264330) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-[cyclopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[cyclopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid
PubChem CID43264330
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-[cyclopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid
SMILESCCN(c1c(C(=O)O)c(C)nn1C)C1CC1
InChIInChI=1S/C11H17N3O2/c1-4-14(8-5-6-8)10-9(11(15)16)7(2)12-13(10)3/h8H,4-6H2,1-3H3,(H,15,16)
InChIKeyZGBFEIIRQNMAQQ-UHFFFAOYSA-N
XLogP1.42
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[cyclopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid (CID 43264330) is 5-[cyclopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[cyclopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[cyclopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid is CCN(c1c(C(=O)O)c(C)nn1C)C1CC1.
What is the InChIKey of 5-[cyclopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid?
The InChIKey is ZGBFEIIRQNMAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-14(8-5-6-8)10-9(11(15)16)7(2)12-13(10)3/h8H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 5-[cyclopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid?
5-[cyclopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 43264330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).