(1R,2R,3R)-3-ethoxy-2-pyrazol-1-ylcyclobutan-1-amine

C9H15N3O — CID 124710362

IUPAC(1R,2R,3R)-3-ethoxy-2-pyrazol-1-ylcyclobutan-1-amine
SMILESCCO[C@@H]1C[C@@H](N)[C@H]1n1cccn1
InChIInChI=1S/C9H15N3O/c1-2-13-8-6-7(10)9(8)12-5-3-4-11-12/h3-5,7-9H,2,6,10H2,1H3/t7-,8-,9-/m1/s1
InChIKeyVFKMPRBJWCWEAU-IWSPIJDZSA-N
MW181.24 g/mol
LogP0.56
Rot. Bonds3

About (1R,2R,3R)-3-ethoxy-2-pyrazol-1-ylcyclobutan-1-amine

(1R,2R,3R)-3-ethoxy-2-pyrazol-1-ylcyclobutan-1-amine (PubChem CID 124710362) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (1R,2R,3R)-3-ethoxy-2-pyrazol-1-ylcyclobutan-1-amine.

Molecular Properties

Compound Name(1R,2R,3R)-3-ethoxy-2-pyrazol-1-ylcyclobutan-1-amine
PubChem CID124710362
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(1R,2R,3R)-3-ethoxy-2-pyrazol-1-ylcyclobutan-1-amine
SMILESCCO[C@@H]1C[C@@H](N)[C@H]1n1cccn1
InChIInChI=1S/C9H15N3O/c1-2-13-8-6-7(10)9(8)12-5-3-4-11-12/h3-5,7-9H,2,6,10H2,1H3/t7-,8-,9-/m1/s1
InChIKeyVFKMPRBJWCWEAU-IWSPIJDZSA-N
XLogP0.56
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,2R,3R)-3-ethoxy-2-pyrazol-1-ylcyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2R,3R)-3-amino-2-pyrazol-1-ylcyclobutan-1-ol
CID 124887297
3-ethoxy-2-(3-ethylazetidin-1-yl)cyclobutan-1-amine
CID 79677468
1-(3-ethoxy-2-pyrazol-1-ylcyclobutyl)-2,5-dimethylpyrrole-3-carboxylic acid
CID 167787843
3-ethoxy-2-N-pyrimidin-2-ylcyclobutane-1,2-diamine
CID 66196480
2-(2-azaspiro[3.4]octan-2-yl)-3-ethoxycyclobutan-1-amine
CID 79677703
2-(2-azaspiro[3.3]heptan-2-yl)-3-ethoxycyclobutan-1-amine
CID 79677954
2-(2-amino-4-ethoxycyclobutyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 66197269
2-(2-amino-4-ethoxycyclobutyl)-3-methylideneisoindol-1-one
CID 66194764
2-(2-amino-4-ethoxycyclobutyl)-4H-isoquinoline-1,3-dione
CID 66195341
2-(1,1-dioxothiazinan-2-yl)-3-ethoxycyclobutan-1-amine
CID 116816802
N-[3-[(3-ethoxy-2-pyrazol-1-ylcyclobutyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 146088707
3-ethoxy-2-N-(4-methyl-2-pyridinyl)cyclobutane-1,2-diamine
CID 66197643

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R)-3-ethoxy-2-pyrazol-1-ylcyclobutan-1-amine?
The IUPAC name of (1R,2R,3R)-3-ethoxy-2-pyrazol-1-ylcyclobutan-1-amine (CID 124710362) is (1R,2R,3R)-3-ethoxy-2-pyrazol-1-ylcyclobutan-1-amine.
What is the SMILES notation for (1R,2R,3R)-3-ethoxy-2-pyrazol-1-ylcyclobutan-1-amine?
The canonical SMILES for (1R,2R,3R)-3-ethoxy-2-pyrazol-1-ylcyclobutan-1-amine is CCO[C@@H]1C[C@@H](N)[C@H]1n1cccn1.
What is the InChIKey of (1R,2R,3R)-3-ethoxy-2-pyrazol-1-ylcyclobutan-1-amine?
The InChIKey is VFKMPRBJWCWEAU-IWSPIJDZSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-13-8-6-7(10)9(8)12-5-3-4-11-12/h3-5,7-9H,2,6,10H2,1H3/t7-,8-,9-/m1/s1.
What are the key properties of (1R,2R,3R)-3-ethoxy-2-pyrazol-1-ylcyclobutan-1-amine?
(1R,2R,3R)-3-ethoxy-2-pyrazol-1-ylcyclobutan-1-amine has a molecular weight of 181.24 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R)-3-ethoxy-2-pyrazol-1-ylcyclobutan-1-amine is sourced from PubChem (CID 124710362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).