3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenol

C13H17N3O — CID 75376542

IUPAC3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenol
SMILESCN(Cc1cccc(O)c1)Cc1cnn(C)c1
InChIInChI=1S/C13H17N3O/c1-15(9-12-7-14-16(2)10-12)8-11-4-3-5-13(17)6-11/h3-7,10,17H,8-9H2,1-2H3
InChIKeyWHUREASBCBHFAL-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.76
Rot. Bonds4

About 3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenol

3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenol (PubChem CID 75376542) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenol.

Molecular Properties

Compound Name3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenol
PubChem CID75376542
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenol
SMILESCN(Cc1cccc(O)c1)Cc1cnn(C)c1
InChIInChI=1S/C13H17N3O/c1-15(9-12-7-14-16(2)10-12)8-11-4-3-5-13(17)6-11/h3-7,10,17H,8-9H2,1-2H3
InChIKeyWHUREASBCBHFAL-UHFFFAOYSA-N
XLogP1.76
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenol?
The IUPAC name of 3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenol (CID 75376542) is 3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenol.
What is the SMILES notation for 3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenol?
The canonical SMILES for 3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenol is CN(Cc1cccc(O)c1)Cc1cnn(C)c1.
What is the InChIKey of 3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenol?
The InChIKey is WHUREASBCBHFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-15(9-12-7-14-16(2)10-12)8-11-4-3-5-13(17)6-11/h3-7,10,17H,8-9H2,1-2H3.
What are the key properties of 3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenol?
3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenol has a molecular weight of 231.30 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenol is sourced from PubChem (CID 75376542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).