N,N-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine

C18H25N3 — CID 16759607

IUPACN,N-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1nn(C)c(C)c1-c1cccc2c1CCC(N(C)C)C2
InChIInChI=1S/C18H25N3/c1-12-18(13(2)21(5)19-12)17-8-6-7-14-11-15(20(3)4)9-10-16(14)17/h6-8,15H,9-11H2,1-5H3
InChIKeyBTTOYOKCLDAHHO-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.12
Rot. Bonds2

About N,N-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine

N,N-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 16759607) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N,N-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID16759607
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN,N-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1nn(C)c(C)c1-c1cccc2c1CCC(N(C)C)C2
InChIInChI=1S/C18H25N3/c1-12-18(13(2)21(5)19-12)17-8-6-7-14-11-15(20(3)4)9-10-16(14)17/h6-8,15H,9-11H2,1-5H3
InChIKeyBTTOYOKCLDAHHO-UHFFFAOYSA-N
XLogP3.12
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N,N-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 16759607) is N,N-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N,N-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N,N-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine is Cc1nn(C)c(C)c1-c1cccc2c1CCC(N(C)C)C2.
What is the InChIKey of N,N-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is BTTOYOKCLDAHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-12-18(13(2)21(5)19-12)17-8-6-7-14-11-15(20(3)4)9-10-16(14)17/h6-8,15H,9-11H2,1-5H3.
What are the key properties of N,N-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
N,N-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 283.42 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 16759607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).