1-(methoxymethyl)-N-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropan-1-amine

C17H23N3O — CID 77092931

IUPAC1-(methoxymethyl)-N-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropan-1-amine
SMILESCOCC1(N(C)Cc2ccccc2Cn2cccn2)CC1
InChIInChI=1S/C17H23N3O/c1-19(17(8-9-17)14-21-2)12-15-6-3-4-7-16(15)13-20-11-5-10-18-20/h3-7,10-11H,8-9,12-14H2,1-2H3
InChIKeyHLMXPUCRSMYPNJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.54
Rot. Bonds7

About 1-(methoxymethyl)-N-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropan-1-amine

1-(methoxymethyl)-N-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropan-1-amine (PubChem CID 77092931) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(methoxymethyl)-N-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-(methoxymethyl)-N-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropan-1-amine
PubChem CID77092931
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(methoxymethyl)-N-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropan-1-amine
SMILESCOCC1(N(C)Cc2ccccc2Cn2cccn2)CC1
InChIInChI=1S/C17H23N3O/c1-19(17(8-9-17)14-21-2)12-15-6-3-4-7-16(15)13-20-11-5-10-18-20/h3-7,10-11H,8-9,12-14H2,1-2H3
InChIKeyHLMXPUCRSMYPNJ-UHFFFAOYSA-N
XLogP2.54
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-N-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-(methoxymethyl)-N-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropan-1-amine (CID 77092931) is 1-(methoxymethyl)-N-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-(methoxymethyl)-N-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-(methoxymethyl)-N-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropan-1-amine is COCC1(N(C)Cc2ccccc2Cn2cccn2)CC1.
What is the InChIKey of 1-(methoxymethyl)-N-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropan-1-amine?
The InChIKey is HLMXPUCRSMYPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-19(17(8-9-17)14-21-2)12-15-6-3-4-7-16(15)13-20-11-5-10-18-20/h3-7,10-11H,8-9,12-14H2,1-2H3.
What are the key properties of 1-(methoxymethyl)-N-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropan-1-amine?
1-(methoxymethyl)-N-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-N-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 77092931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).