1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine

C16H21N3O — CID 71916254

IUPAC1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
SMILESCOCC(NCc1cnn(-c2ccccc2)c1)C1CC1
InChIInChI=1S/C16H21N3O/c1-20-12-16(14-7-8-14)17-9-13-10-18-19(11-13)15-5-3-2-4-6-15/h2-6,10-11,14,16-17H,7-9,12H2,1H3
InChIKeyLUPVNTIOCSZINI-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.39
Rot. Bonds7

About 1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine

1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine (PubChem CID 71916254) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
PubChem CID71916254
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
SMILESCOCC(NCc1cnn(-c2ccccc2)c1)C1CC1
InChIInChI=1S/C16H21N3O/c1-20-12-16(14-7-8-14)17-9-13-10-18-19(11-13)15-5-3-2-4-6-15/h2-6,10-11,14,16-17H,7-9,12H2,1H3
InChIKeyLUPVNTIOCSZINI-UHFFFAOYSA-N
XLogP2.39
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 97062742
(1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 81385943
2,2-dimethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 60668857
2-[(1-phenylpyrazol-4-yl)methylamino]-N-propylpropanamide
CID 43225383
3-(2-methylpropoxy)-N-[(1-phenylpyrazol-4-yl)methyl]propan-1-amine
CID 28681591
2,6-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-amine
CID 83009169
(2S)-3-methyl-2-[(1-phenylpyrazol-4-yl)methylamino]butanoic acid
CID 120510466
N-[(1-phenylpyrazol-4-yl)methyl]hexan-2-amine
CID 62196925
N-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 52528125
4-methylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]butan-2-amine
CID 115640103
N-ethyl-2-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105165630
2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 43590778

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine (CID 71916254) is 1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine is COCC(NCc1cnn(-c2ccccc2)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is LUPVNTIOCSZINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-20-12-16(14-7-8-14)17-9-13-10-18-19(11-13)15-5-3-2-4-6-15/h2-6,10-11,14,16-17H,7-9,12H2,1H3.
What are the key properties of 1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine?
1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 271.36 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 71916254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).