3-[[[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]amino]methyl]phenol

C14H20N4O — CID 71854918

IUPAC3-[[[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]amino]methyl]phenol
SMILESCN(C)CCn1ccc(NCc2cccc(O)c2)n1
InChIInChI=1S/C14H20N4O/c1-17(2)8-9-18-7-6-14(16-18)15-11-12-4-3-5-13(19)10-12/h3-7,10,19H,8-9,11H2,1-2H3,(H,15,16)
InChIKeyDPCFQVBXTHAYPT-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.76
Rot. Bonds6

About 3-[[[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]amino]methyl]phenol

3-[[[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]amino]methyl]phenol (PubChem CID 71854918) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[[[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]amino]methyl]phenol.

Molecular Properties

Compound Name3-[[[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]amino]methyl]phenol
PubChem CID71854918
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-[[[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]amino]methyl]phenol
SMILESCN(C)CCn1ccc(NCc2cccc(O)c2)n1
InChIInChI=1S/C14H20N4O/c1-17(2)8-9-18-7-6-14(16-18)15-11-12-4-3-5-13(19)10-12/h3-7,10,19H,8-9,11H2,1-2H3,(H,15,16)
InChIKeyDPCFQVBXTHAYPT-UHFFFAOYSA-N
XLogP1.76
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]amino]methyl]phenol?
The IUPAC name of 3-[[[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]amino]methyl]phenol (CID 71854918) is 3-[[[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]amino]methyl]phenol.
What is the SMILES notation for 3-[[[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]amino]methyl]phenol?
The canonical SMILES for 3-[[[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]amino]methyl]phenol is CN(C)CCn1ccc(NCc2cccc(O)c2)n1.
What is the InChIKey of 3-[[[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]amino]methyl]phenol?
The InChIKey is DPCFQVBXTHAYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-17(2)8-9-18-7-6-14(16-18)15-11-12-4-3-5-13(19)10-12/h3-7,10,19H,8-9,11H2,1-2H3,(H,15,16).
What are the key properties of 3-[[[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]amino]methyl]phenol?
3-[[[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]amino]methyl]phenol has a molecular weight of 260.34 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]amino]methyl]phenol is sourced from PubChem (CID 71854918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).