N-(2-methoxyethyl)-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine

C23H29N3O2 — CID 23724051

IUPACN-(2-methoxyethyl)-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine
SMILESCOCCN(Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1)C(C)C
InChIInChI=1S/C23H29N3O2/c1-18(2)26(14-15-27-4)17-20-16-25(3)24-23(20)19-10-12-22(13-11-19)28-21-8-6-5-7-9-21/h5-13,16,18H,14-15,17H2,1-4H3
InChIKeyDKWRCOKZHSAJJA-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.74
Rot. Bonds9

About N-(2-methoxyethyl)-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine

N-(2-methoxyethyl)-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 23724051) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine
PubChem CID23724051
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-(2-methoxyethyl)-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine
SMILESCOCCN(Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1)C(C)C
InChIInChI=1S/C23H29N3O2/c1-18(2)26(14-15-27-4)17-20-16-25(3)24-23(20)19-10-12-22(13-11-19)28-21-8-6-5-7-9-21/h5-13,16,18H,14-15,17H2,1-4H3
InChIKeyDKWRCOKZHSAJJA-UHFFFAOYSA-N
XLogP4.74
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-(2-methoxyethyl)-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine (CID 23724051) is N-(2-methoxyethyl)-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine is COCCN(Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1)C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is DKWRCOKZHSAJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18(2)26(14-15-27-4)17-20-16-25(3)24-23(20)19-10-12-22(13-11-19)28-21-8-6-5-7-9-21/h5-13,16,18H,14-15,17H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine?
N-(2-methoxyethyl)-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 379.50 g/mol, XLogP of 4.74, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 23724051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).