2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-2-methoxy-N-methylethanamine

C12H21N3O — CID 116722271

IUPAC2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-2-methoxy-N-methylethanamine
SMILESCCn1nccc1C(NC)C(OC)C1CC1
InChIInChI=1S/C12H21N3O/c1-4-15-10(7-8-14-15)11(13-2)12(16-3)9-5-6-9/h7-9,11-13H,4-6H2,1-3H3
InChIKeyXXZZFASPHHTQDV-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.59
Rot. Bonds6

About 2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-2-methoxy-N-methylethanamine

2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-2-methoxy-N-methylethanamine (PubChem CID 116722271) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-2-methoxy-N-methylethanamine.

Molecular Properties

Compound Name2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-2-methoxy-N-methylethanamine
PubChem CID116722271
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-2-methoxy-N-methylethanamine
SMILESCCn1nccc1C(NC)C(OC)C1CC1
InChIInChI=1S/C12H21N3O/c1-4-15-10(7-8-14-15)11(13-2)12(16-3)9-5-6-9/h7-9,11-13H,4-6H2,1-3H3
InChIKeyXXZZFASPHHTQDV-UHFFFAOYSA-N
XLogP1.59
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-N-methylpropan-1-amine
CID 115858181
2-cyclohexyl-2-methoxy-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 116771490
1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65423027
[2-cyclohexyl-2-methoxy-1-(2-propylpyrazol-3-yl)ethyl]hydrazine
CID 105278592
1-cyclopentyl-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 63976376
2-cyclopropyl-2-ethoxy-1-(2-ethylpyrazol-3-yl)ethanamine
CID 116723121
2-cyclohexyl-2-ethoxy-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 116772422
1-(7-bicyclo[4.1.0]heptanyl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 115857909
2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylpyrazol-3-yl)ethanamine
CID 107330899
2-cyclopropyl-1-(furan-3-yl)-2-methoxy-N-methylethanamine
CID 116722206
1-cyclopropyl-2-(2-ethylpyrazol-3-yl)ethane-1,2-diol
CID 103456908
1-(2-ethylpyrazol-3-yl)-N-methyl-2-phenylbutan-1-amine
CID 115858001

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-2-methoxy-N-methylethanamine?
The IUPAC name of 2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-2-methoxy-N-methylethanamine (CID 116722271) is 2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-2-methoxy-N-methylethanamine.
What is the SMILES notation for 2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-2-methoxy-N-methylethanamine?
The canonical SMILES for 2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-2-methoxy-N-methylethanamine is CCn1nccc1C(NC)C(OC)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-2-methoxy-N-methylethanamine?
The InChIKey is XXZZFASPHHTQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-15-10(7-8-14-15)11(13-2)12(16-3)9-5-6-9/h7-9,11-13H,4-6H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-2-methoxy-N-methylethanamine?
2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-2-methoxy-N-methylethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-2-methoxy-N-methylethanamine is sourced from PubChem (CID 116722271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).