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

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Related Compounds

4-(4-chlorophenyl)-1,3,5-trimethylpyrazole
CID 142305322
N-methyl-1-(4-pyridin-4-ylphenyl)propan-2-amine
CID 82540626
1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-1-amine
CID 54910094
N-methyl-1-(4-phenylphenyl)propan-2-amine
CID 82540674
1-(4-bromophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
CID 43695533
(2S)-N-methyl-1-phenylpropan-2-amine;1,4-xylene
CID 174875624
[1-[[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]pyrazol-4-yl]methanol
CID 166240170
1-(4-chlorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105085290
N-methyl-1-phenylpropan-2-amine
CID 118309477
2-[1-(2H-tetrazol-5-yl)-2-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]hexanoic acid
CID 123978381
N-[[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]ethanamine
CID 54910186
(2R)-1-[4-(3,5-dimethoxyphenyl)phenyl]-N-methylpropan-2-amine
CID 69022765

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).