N,5-dimethyl-3-(6-methylnaphthalen-2-yl)-1H-pyrazol-4-amine

C16H17N3 — CID 116827019

IUPACN,5-dimethyl-3-(6-methylnaphthalen-2-yl)-1H-pyrazol-4-amine
SMILESCNc1c(-c2ccc3cc(C)ccc3c2)n[nH]c1C
InChIInChI=1S/C16H17N3/c1-10-4-5-13-9-14(7-6-12(13)8-10)16-15(17-3)11(2)18-19-16/h4-9,17H,1-3H3,(H,18,19)
InChIKeyJFMAQNYMALSWMD-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.89
Rot. Bonds2

About N,5-dimethyl-3-(6-methylnaphthalen-2-yl)-1H-pyrazol-4-amine

N,5-dimethyl-3-(6-methylnaphthalen-2-yl)-1H-pyrazol-4-amine (PubChem CID 116827019) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N,5-dimethyl-3-(6-methylnaphthalen-2-yl)-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN,5-dimethyl-3-(6-methylnaphthalen-2-yl)-1H-pyrazol-4-amine
PubChem CID116827019
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC NameN,5-dimethyl-3-(6-methylnaphthalen-2-yl)-1H-pyrazol-4-amine
SMILESCNc1c(-c2ccc3cc(C)ccc3c2)n[nH]c1C
InChIInChI=1S/C16H17N3/c1-10-4-5-13-9-14(7-6-12(13)8-10)16-15(17-3)11(2)18-19-16/h4-9,17H,1-3H3,(H,18,19)
InChIKeyJFMAQNYMALSWMD-UHFFFAOYSA-N
XLogP3.89
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-3-(6-methylnaphthalen-2-yl)-1H-pyrazol-4-amine?
The IUPAC name of N,5-dimethyl-3-(6-methylnaphthalen-2-yl)-1H-pyrazol-4-amine (CID 116827019) is N,5-dimethyl-3-(6-methylnaphthalen-2-yl)-1H-pyrazol-4-amine.
What is the SMILES notation for N,5-dimethyl-3-(6-methylnaphthalen-2-yl)-1H-pyrazol-4-amine?
The canonical SMILES for N,5-dimethyl-3-(6-methylnaphthalen-2-yl)-1H-pyrazol-4-amine is CNc1c(-c2ccc3cc(C)ccc3c2)n[nH]c1C.
What is the InChIKey of N,5-dimethyl-3-(6-methylnaphthalen-2-yl)-1H-pyrazol-4-amine?
The InChIKey is JFMAQNYMALSWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-10-4-5-13-9-14(7-6-12(13)8-10)16-15(17-3)11(2)18-19-16/h4-9,17H,1-3H3,(H,18,19).
What are the key properties of N,5-dimethyl-3-(6-methylnaphthalen-2-yl)-1H-pyrazol-4-amine?
N,5-dimethyl-3-(6-methylnaphthalen-2-yl)-1H-pyrazol-4-amine has a molecular weight of 251.33 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-3-(6-methylnaphthalen-2-yl)-1H-pyrazol-4-amine is sourced from PubChem (CID 116827019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).