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

C19H29N3 — CID 59370616

IUPACN,2-dimethyl-N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
SMILESCc1nn(C)c(C)c1-c1cccc(CCN(C)CC(C)C)c1
InChIInChI=1S/C19H29N3/c1-14(2)13-21(5)11-10-17-8-7-9-18(12-17)19-15(3)20-22(6)16(19)4/h7-9,12,14H,10-11,13H2,1-6H3
InChIKeyZRVGGYKLQJYBQL-UHFFFAOYSA-N
MW299.46 g/mol
LogP3.83
Rot. Bonds6

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

N,2-dimethyl-N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine (PubChem CID 59370616) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
PubChem CID59370616
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC NameN,2-dimethyl-N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
SMILESCc1nn(C)c(C)c1-c1cccc(CCN(C)CC(C)C)c1
InChIInChI=1S/C19H29N3/c1-14(2)13-21(5)11-10-17-8-7-9-18(12-17)19-15(3)20-22(6)16(19)4/h7-9,12,14H,10-11,13H2,1-6H3
InChIKeyZRVGGYKLQJYBQL-UHFFFAOYSA-N
XLogP3.83
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,2-dimethyl-N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N,2-dimethyl-N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine (CID 59370616) is N,2-dimethyl-N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine is Cc1nn(C)c(C)c1-c1cccc(CCN(C)CC(C)C)c1.
What is the InChIKey of N,2-dimethyl-N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine?
The InChIKey is ZRVGGYKLQJYBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-14(2)13-21(5)11-10-17-8-7-9-18(12-17)19-15(3)20-22(6)16(19)4/h7-9,12,14H,10-11,13H2,1-6H3.
What are the key properties of N,2-dimethyl-N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine?
N,2-dimethyl-N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine has a molecular weight of 299.46 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 59370616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).