6-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]naphthalen-2-ol

C16H17N3O — CID 74232118

IUPAC6-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]naphthalen-2-ol
SMILESCN(Cc1ccc2cc(O)ccc2c1)Cc1ccn[nH]1
InChIInChI=1S/C16H17N3O/c1-19(11-15-6-7-17-18-15)10-12-2-3-14-9-16(20)5-4-13(14)8-12/h2-9,20H,10-11H2,1H3,(H,17,18)
InChIKeyNNUDRLHNDGCFHL-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.90
Rot. Bonds4

About 6-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]naphthalen-2-ol

6-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]naphthalen-2-ol (PubChem CID 74232118) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]naphthalen-2-ol
PubChem CID74232118
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name6-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]naphthalen-2-ol
SMILESCN(Cc1ccc2cc(O)ccc2c1)Cc1ccn[nH]1
InChIInChI=1S/C16H17N3O/c1-19(11-15-6-7-17-18-15)10-12-2-3-14-9-16(20)5-4-13(14)8-12/h2-9,20H,10-11H2,1H3,(H,17,18)
InChIKeyNNUDRLHNDGCFHL-UHFFFAOYSA-N
XLogP2.90
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]naphthalen-2-ol?
The IUPAC name of 6-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]naphthalen-2-ol (CID 74232118) is 6-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]naphthalen-2-ol.
What is the SMILES notation for 6-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]naphthalen-2-ol?
The canonical SMILES for 6-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]naphthalen-2-ol is CN(Cc1ccc2cc(O)ccc2c1)Cc1ccn[nH]1.
What is the InChIKey of 6-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]naphthalen-2-ol?
The InChIKey is NNUDRLHNDGCFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-19(11-15-6-7-17-18-15)10-12-2-3-14-9-16(20)5-4-13(14)8-12/h2-9,20H,10-11H2,1H3,(H,17,18).
What are the key properties of 6-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]naphthalen-2-ol?
6-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]naphthalen-2-ol has a molecular weight of 267.33 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]naphthalen-2-ol is sourced from PubChem (CID 74232118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).