N,N-dimethyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanamine

C16H23N3 — CID 24825775

IUPACN,N-dimethyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanamine
SMILESCc1nn(C)c(C)c1-c1cccc(CCN(C)C)c1
InChIInChI=1S/C16H23N3/c1-12-16(13(2)19(5)17-12)15-8-6-7-14(11-15)9-10-18(3)4/h6-8,11H,9-10H2,1-5H3
InChIKeyMFUWRMRKXKCSPL-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.81
Rot. Bonds4

About N,N-dimethyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanamine

N,N-dimethyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanamine (PubChem CID 24825775) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanamine
PubChem CID24825775
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN,N-dimethyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanamine
SMILESCc1nn(C)c(C)c1-c1cccc(CCN(C)C)c1
InChIInChI=1S/C16H23N3/c1-12-16(13(2)19(5)17-12)15-8-6-7-14(11-15)9-10-18(3)4/h6-8,11H,9-10H2,1-5H3
InChIKeyMFUWRMRKXKCSPL-UHFFFAOYSA-N
XLogP2.81
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanamine (CID 24825775) is N,N-dimethyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanamine is Cc1nn(C)c(C)c1-c1cccc(CCN(C)C)c1.
What is the InChIKey of N,N-dimethyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanamine?
The InChIKey is MFUWRMRKXKCSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12-16(13(2)19(5)17-12)15-8-6-7-14(11-15)9-10-18(3)4/h6-8,11H,9-10H2,1-5H3.
What are the key properties of N,N-dimethyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanamine?
N,N-dimethyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanamine has a molecular weight of 257.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanamine is sourced from PubChem (CID 24825775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).