5-cyclopropyl-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpyrazol-3-amine

C27H28N4O2 — CID 71845530

IUPAC5-cyclopropyl-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpyrazol-3-amine
SMILESCOc1ccc(CNc2c(C)c(C3CC3)nn2-c2ccccc2)cc1OCc1cccnc1
InChIInChI=1S/C27H28N4O2/c1-19-26(22-11-12-22)30-31(23-8-4-3-5-9-23)27(19)29-17-20-10-13-24(32-2)25(15-20)33-18-21-7-6-14-28-16-21/h3-10,13-16,22,29H,11-12,17-18H2,1-2H3
InChIKeyFFSXTERHAQFWQC-UHFFFAOYSA-N
MW440.55 g/mol
LogP5.65
Rot. Bonds9

About 5-cyclopropyl-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpyrazol-3-amine

5-cyclopropyl-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpyrazol-3-amine (PubChem CID 71845530) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 5-cyclopropyl-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpyrazol-3-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpyrazol-3-amine
PubChem CID71845530
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name5-cyclopropyl-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpyrazol-3-amine
SMILESCOc1ccc(CNc2c(C)c(C3CC3)nn2-c2ccccc2)cc1OCc1cccnc1
InChIInChI=1S/C27H28N4O2/c1-19-26(22-11-12-22)30-31(23-8-4-3-5-9-23)27(19)29-17-20-10-13-24(32-2)25(15-20)33-18-21-7-6-14-28-16-21/h3-10,13-16,22,29H,11-12,17-18H2,1-2H3
InChIKeyFFSXTERHAQFWQC-UHFFFAOYSA-N
XLogP5.65
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpyrazol-3-amine with MolForge

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Related Compounds

4-[[(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)amino]methyl]benzamide
CID 71845529
N-cyclohexyl-2-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methylamino]acetamide
CID 119129107
N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-1-prop-2-enylpiperidin-4-amine
CID 119124188
1-[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 43278584
[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 43122520
1-(1,3-dimethylpyrazol-4-yl)-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 119122611
N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 119114782
N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 119127589
3-[(2R)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 1353857
N-[(5-ethylthiophen-2-yl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 119111433
N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 38050827
3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine
CID 43324725

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpyrazol-3-amine?
The IUPAC name of 5-cyclopropyl-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpyrazol-3-amine (CID 71845530) is 5-cyclopropyl-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpyrazol-3-amine.
What is the SMILES notation for 5-cyclopropyl-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpyrazol-3-amine?
The canonical SMILES for 5-cyclopropyl-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpyrazol-3-amine is COc1ccc(CNc2c(C)c(C3CC3)nn2-c2ccccc2)cc1OCc1cccnc1.
What is the InChIKey of 5-cyclopropyl-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpyrazol-3-amine?
The InChIKey is FFSXTERHAQFWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-19-26(22-11-12-22)30-31(23-8-4-3-5-9-23)27(19)29-17-20-10-13-24(32-2)25(15-20)33-18-21-7-6-14-28-16-21/h3-10,13-16,22,29H,11-12,17-18H2,1-2H3.
What are the key properties of 5-cyclopropyl-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpyrazol-3-amine?
5-cyclopropyl-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpyrazol-3-amine has a molecular weight of 440.55 g/mol, XLogP of 5.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpyrazol-3-amine is sourced from PubChem (CID 71845530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).