3-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]phenol

C14H19N3O — CID 19627475

IUPAC3-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]phenol
SMILESCCn1ncc(CNCc2cccc(O)c2)c1C
InChIInChI=1S/C14H19N3O/c1-3-17-11(2)13(10-16-17)9-15-8-12-5-4-6-14(18)7-12/h4-7,10,15,18H,3,8-9H2,1-2H3
InChIKeySDWCGGNLVXYFHF-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.21
Rot. Bonds5

About 3-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]phenol

3-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]phenol (PubChem CID 19627475) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name3-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]phenol
PubChem CID19627475
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]phenol
SMILESCCn1ncc(CNCc2cccc(O)c2)c1C
InChIInChI=1S/C14H19N3O/c1-3-17-11(2)13(10-16-17)9-15-8-12-5-4-6-14(18)7-12/h4-7,10,15,18H,3,8-9H2,1-2H3
InChIKeySDWCGGNLVXYFHF-UHFFFAOYSA-N
XLogP2.21
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]phenol?
The IUPAC name of 3-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]phenol (CID 19627475) is 3-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]phenol.
What is the SMILES notation for 3-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]phenol?
The canonical SMILES for 3-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]phenol is CCn1ncc(CNCc2cccc(O)c2)c1C.
What is the InChIKey of 3-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]phenol?
The InChIKey is SDWCGGNLVXYFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-17-11(2)13(10-16-17)9-15-8-12-5-4-6-14(18)7-12/h4-7,10,15,18H,3,8-9H2,1-2H3.
What are the key properties of 3-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]phenol?
3-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]phenol has a molecular weight of 245.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]phenol is sourced from PubChem (CID 19627475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).