N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-methylpyrazol-3-amine

C15H18ClN3 — CID 83067690

IUPACN-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-methylpyrazol-3-amine
SMILESCn1ccc(NC2c3cc(Cl)ccc3CC2(C)C)n1
InChIInChI=1S/C15H18ClN3/c1-15(2)9-10-4-5-11(16)8-12(10)14(15)17-13-6-7-19(3)18-13/h4-8,14H,9H2,1-3H3,(H,17,18)
InChIKeyQPOLJXMAYTVRMF-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.81
Rot. Bonds2

About N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-methylpyrazol-3-amine

N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-methylpyrazol-3-amine (PubChem CID 83067690) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-methylpyrazol-3-amine
PubChem CID83067690
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC NameN-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-methylpyrazol-3-amine
SMILESCn1ccc(NC2c3cc(Cl)ccc3CC2(C)C)n1
InChIInChI=1S/C15H18ClN3/c1-15(2)9-10-4-5-11(16)8-12(10)14(15)17-13-6-7-19(3)18-13/h4-8,14H,9H2,1-3H3,(H,17,18)
InChIKeyQPOLJXMAYTVRMF-UHFFFAOYSA-N
XLogP3.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-methylpyrazol-3-amine?
The IUPAC name of N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-methylpyrazol-3-amine (CID 83067690) is N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-methylpyrazol-3-amine.
What is the SMILES notation for N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-methylpyrazol-3-amine?
The canonical SMILES for N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-methylpyrazol-3-amine is Cn1ccc(NC2c3cc(Cl)ccc3CC2(C)C)n1.
What is the InChIKey of N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-methylpyrazol-3-amine?
The InChIKey is QPOLJXMAYTVRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-15(2)9-10-4-5-11(16)8-12(10)14(15)17-13-6-7-19(3)18-13/h4-8,14H,9H2,1-3H3,(H,17,18).
What are the key properties of N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-methylpyrazol-3-amine?
N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-methylpyrazol-3-amine has a molecular weight of 275.78 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-methylpyrazol-3-amine is sourced from PubChem (CID 83067690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).