2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylpyrazol-3-yl)ethanamine

C17H23N3O — CID 107330899

IUPAC2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylpyrazol-3-yl)ethanamine
SMILESCCNC(c1ccnn1-c1ccccc1)C(OC)C1CC1
InChIInChI=1S/C17H23N3O/c1-3-18-16(17(21-2)13-9-10-13)15-11-12-19-20(15)14-7-5-4-6-8-14/h4-8,11-13,16-18H,3,9-10H2,1-2H3
InChIKeyPUHBZQWZFBEARR-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.95
Rot. Bonds7

About 2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylpyrazol-3-yl)ethanamine

2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylpyrazol-3-yl)ethanamine (PubChem CID 107330899) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylpyrazol-3-yl)ethanamine
PubChem CID107330899
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylpyrazol-3-yl)ethanamine
SMILESCCNC(c1ccnn1-c1ccccc1)C(OC)C1CC1
InChIInChI=1S/C17H23N3O/c1-3-18-16(17(21-2)13-9-10-13)15-11-12-19-20(15)14-7-5-4-6-8-14/h4-8,11-13,16-18H,3,9-10H2,1-2H3
InChIKeyPUHBZQWZFBEARR-UHFFFAOYSA-N
XLogP2.95
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107330894
2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-2-methoxy-N-methylethanamine
CID 116722271
4-ethoxy-N-ethyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107332190
N-ethyl-2,2-dimethyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107330534
N-ethyl-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107330516
N-[(2-phenylpyrazol-3-yl)-(thian-2-yl)methyl]ethanamine
CID 107330812
(3-methylcyclopentyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330702
2-cyclopropyl-N-ethyl-2-methoxy-1-quinolin-3-ylethanamine
CID 116722411
2-cyclohexyl-2-ethoxy-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 116772422
1-(4-tert-butylphenyl)-2-cyclopropyl-N-ethyl-2-methoxyethanamine
CID 116722412
2-cyclohexyl-2-methoxy-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 116771490
N,2-dimethyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107330520

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylpyrazol-3-yl)ethanamine (CID 107330899) is 2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylpyrazol-3-yl)ethanamine is CCNC(c1ccnn1-c1ccccc1)C(OC)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylpyrazol-3-yl)ethanamine?
The InChIKey is PUHBZQWZFBEARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-18-16(17(21-2)13-9-10-13)15-11-12-19-20(15)14-7-5-4-6-8-14/h4-8,11-13,16-18H,3,9-10H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylpyrazol-3-yl)ethanamine?
2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylpyrazol-3-yl)ethanamine has a molecular weight of 285.39 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 107330899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).