4-[[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-2-methoxyphenol

C21H23N3O2 — CID 75504406

IUPAC4-[[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-2-methoxyphenol
SMILESCOc1cc(CN(Cc2ccc(-n3cccn3)cc2)C2CC2)ccc1O
InChIInChI=1S/C21H23N3O2/c1-26-21-13-17(5-10-20(21)25)15-23(18-8-9-18)14-16-3-6-19(7-4-16)24-12-2-11-22-24/h2-7,10-13,18,25H,8-9,14-15H2,1H3
InChIKeyCQTRMNFCNPAWFS-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.75
Rot. Bonds7

About 4-[[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-2-methoxyphenol

4-[[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-2-methoxyphenol (PubChem CID 75504406) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-[[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-2-methoxyphenol
PubChem CID75504406
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-[[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-2-methoxyphenol
SMILESCOc1cc(CN(Cc2ccc(-n3cccn3)cc2)C2CC2)ccc1O
InChIInChI=1S/C21H23N3O2/c1-26-21-13-17(5-10-20(21)25)15-23(18-8-9-18)14-16-3-6-19(7-4-16)24-12-2-11-22-24/h2-7,10-13,18,25H,8-9,14-15H2,1H3
InChIKeyCQTRMNFCNPAWFS-UHFFFAOYSA-N
XLogP3.75
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-2-methoxyphenol (CID 75504406) is 4-[[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-2-methoxyphenol is COc1cc(CN(Cc2ccc(-n3cccn3)cc2)C2CC2)ccc1O.
What is the InChIKey of 4-[[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-2-methoxyphenol?
The InChIKey is CQTRMNFCNPAWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-26-21-13-17(5-10-20(21)25)15-23(18-8-9-18)14-16-3-6-19(7-4-16)24-12-2-11-22-24/h2-7,10-13,18,25H,8-9,14-15H2,1H3.
What are the key properties of 4-[[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-2-methoxyphenol?
4-[[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-2-methoxyphenol has a molecular weight of 349.43 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 75504406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).