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

C16H21N3O — CID 97062742

IUPAC(1S)-1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
SMILESCOC[C@@H](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/t16-/m1/s1
InChIKeyLUPVNTIOCSZINI-MRXNPFEDSA-N
MW271.36 g/mol
LogP2.39
Rot. Bonds7

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

(1S)-1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine (PubChem CID 97062742) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (1S)-1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
PubChem CID97062742
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(1S)-1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
SMILESCOC[C@@H](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/t16-/m1/s1
InChIKeyLUPVNTIOCSZINI-MRXNPFEDSA-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

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

1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 71916254
(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
N-[(1-phenylpyrazol-4-yl)methyl]hexan-2-amine
CID 62196925
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-[(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 (1S)-1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine (CID 97062742) is (1S)-1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine is COC[C@@H](NCc1cnn(-c2ccccc2)c1)C1CC1.
What is the InChIKey of (1S)-1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is LUPVNTIOCSZINI-MRXNPFEDSA-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/t16-/m1/s1.
What are the key properties of (1S)-1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine?
(1S)-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 (1S)-1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 97062742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).