4-amino-1-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrazole-3-carboxylic acid

C10H15N3O2 — CID 165480398

IUPAC4-amino-1-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrazole-3-carboxylic acid
SMILESCC[C@@H]1C[C@H]1Cn1cc(N)c(C(=O)O)n1
InChIInChI=1S/C10H15N3O2/c1-2-6-3-7(6)4-13-5-8(11)9(12-13)10(14)15/h5-7H,2-4,11H2,1H3,(H,14,15)/t6-,7+/m1/s1
InChIKeyDFXMAQVHHLIJNJ-RQJHMYQMSA-N
MW209.25 g/mol
LogP1.21
Rot. Bonds4

About 4-amino-1-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrazole-3-carboxylic acid

4-amino-1-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrazole-3-carboxylic acid (PubChem CID 165480398) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-amino-1-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrazole-3-carboxylic acid
PubChem CID165480398
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-amino-1-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrazole-3-carboxylic acid
SMILESCC[C@@H]1C[C@H]1Cn1cc(N)c(C(=O)O)n1
InChIInChI=1S/C10H15N3O2/c1-2-6-3-7(6)4-13-5-8(11)9(12-13)10(14)15/h5-7H,2-4,11H2,1H3,(H,14,15)/t6-,7+/m1/s1
InChIKeyDFXMAQVHHLIJNJ-RQJHMYQMSA-N
XLogP1.21
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrazole-3-carboxylic acid?
The IUPAC name of 4-amino-1-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrazole-3-carboxylic acid (CID 165480398) is 4-amino-1-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-amino-1-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 4-amino-1-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrazole-3-carboxylic acid is CC[C@@H]1C[C@H]1Cn1cc(N)c(C(=O)O)n1.
What is the InChIKey of 4-amino-1-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrazole-3-carboxylic acid?
The InChIKey is DFXMAQVHHLIJNJ-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-6-3-7(6)4-13-5-8(11)9(12-13)10(14)15/h5-7H,2-4,11H2,1H3,(H,14,15)/t6-,7+/m1/s1.
What are the key properties of 4-amino-1-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrazole-3-carboxylic acid?
4-amino-1-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrazole-3-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 165480398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).