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

C16H23N3 — CID 82540422

IUPACN-methyl-1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-2-amine
SMILESCNC(C)Cc1ccc(-c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C16H23N3/c1-11(17-4)10-14-6-8-15(9-7-14)16-12(2)18-19(5)13(16)3/h6-9,11,17H,10H2,1-5H3
InChIKeySXNFQZXQUPROFL-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.85
Rot. Bonds4

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

N-methyl-1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-2-amine (PubChem CID 82540422) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-methyl-1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-2-amine
PubChem CID82540422
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-methyl-1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-2-amine
SMILESCNC(C)Cc1ccc(-c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C16H23N3/c1-11(17-4)10-14-6-8-15(9-7-14)16-12(2)18-19(5)13(16)3/h6-9,11,17H,10H2,1-5H3
InChIKeySXNFQZXQUPROFL-UHFFFAOYSA-N
XLogP2.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-2-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-methyl-1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-2-amine?
The IUPAC name of N-methyl-1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-2-amine (CID 82540422) is N-methyl-1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-2-amine?
The canonical SMILES for N-methyl-1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-2-amine is CNC(C)Cc1ccc(-c2c(C)nn(C)c2C)cc1.
What is the InChIKey of N-methyl-1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-2-amine?
The InChIKey is SXNFQZXQUPROFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11(17-4)10-14-6-8-15(9-7-14)16-12(2)18-19(5)13(16)3/h6-9,11,17H,10H2,1-5H3.
What are the key properties of N-methyl-1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-2-amine?
N-methyl-1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-2-amine is sourced from PubChem (CID 82540422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).