1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine

C16H21N3O — CID 105047333

IUPAC1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
SMILESCNC(c1c(OC)cnn1C)C1CC1c1ccccc1
InChIInChI=1S/C16H21N3O/c1-17-15(16-14(20-3)10-18-19(16)2)13-9-12(13)11-7-5-4-6-8-11/h4-8,10,12-13,15,17H,9H2,1-3H3
InChIKeyCSKYINMTZWLHIU-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.49
Rot. Bonds5

About 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine

1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine (PubChem CID 105047333) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
PubChem CID105047333
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
SMILESCNC(c1c(OC)cnn1C)C1CC1c1ccccc1
InChIInChI=1S/C16H21N3O/c1-17-15(16-14(20-3)10-18-19(16)2)13-9-12(13)11-7-5-4-6-8-11/h4-8,10,12-13,15,17H,9H2,1-3H3
InChIKeyCSKYINMTZWLHIU-UHFFFAOYSA-N
XLogP2.49
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105066144
1-(3-methoxy-4-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105052563
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105052597
[2,3-dihydro-1H-inden-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105234228
1-(4-methoxy-1-methylpyrazol-5-yl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 114650498
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-3-phenylpropan-1-amine
CID 114648431
1-(4,4-difluorocyclohexyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105186369
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 105047047
N-methyl-1-(2-methyl-1,3-thiazol-5-yl)-1-(2-phenylcyclopropyl)methanamine
CID 114031727
1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517909
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(2-phenylcyclopropyl)methanamine
CID 105189104
1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517836

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine?
The IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine (CID 105047333) is 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine.
What is the SMILES notation for 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine?
The canonical SMILES for 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine is CNC(c1c(OC)cnn1C)C1CC1c1ccccc1.
What is the InChIKey of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine?
The InChIKey is CSKYINMTZWLHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-17-15(16-14(20-3)10-18-19(16)2)13-9-12(13)11-7-5-4-6-8-11/h4-8,10,12-13,15,17H,9H2,1-3H3.
What are the key properties of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine?
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine has a molecular weight of 271.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine is sourced from PubChem (CID 105047333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).