[3-(2-methylpropyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine

C17H25N3 — CID 105188108

IUPAC[3-(2-methylpropyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCc1nn(C)c(C)c1C(N)c1cccc(CC(C)C)c1
InChIInChI=1S/C17H25N3/c1-11(2)9-14-7-6-8-15(10-14)17(18)16-12(3)19-20(5)13(16)4/h6-8,10-11,17H,9,18H2,1-5H3
InChIKeyBZWBQRLMQIXPAP-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.28
Rot. Bonds4

About [3-(2-methylpropyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine

[3-(2-methylpropyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine (PubChem CID 105188108) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is [3-(2-methylpropyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name[3-(2-methylpropyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine
PubChem CID105188108
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name[3-(2-methylpropyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCc1nn(C)c(C)c1C(N)c1cccc(CC(C)C)c1
InChIInChI=1S/C17H25N3/c1-11(2)9-14-7-6-8-15(10-14)17(18)16-12(3)19-20(5)13(16)4/h6-8,10-11,17H,9,18H2,1-5H3
InChIKeyBZWBQRLMQIXPAP-UHFFFAOYSA-N
XLogP3.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105187932
N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105188112
[3-(2-methylpropyl)phenyl]-(2-methylpyrazol-3-yl)methanamine
CID 105188165
[3-(2-methylpropyl)phenyl]-(5-methylpyrimidin-2-yl)methanamine
CID 116545007
(1-methylimidazol-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544947
(4-bromo-3,5-dimethylphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 114330154
(4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543839
(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050742
(4-chloro-2,5-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050632
[2-(3-bromophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105284541
N-[(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 105187849
1-(3-propylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105187974

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The IUPAC name of [3-(2-methylpropyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine (CID 105188108) is [3-(2-methylpropyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for [3-(2-methylpropyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The canonical SMILES for [3-(2-methylpropyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine is Cc1nn(C)c(C)c1C(N)c1cccc(CC(C)C)c1.
What is the InChIKey of [3-(2-methylpropyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The InChIKey is BZWBQRLMQIXPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-11(2)9-14-7-6-8-15(10-14)17(18)16-12(3)19-20(5)13(16)4/h6-8,10-11,17H,9,18H2,1-5H3.
What are the key properties of [3-(2-methylpropyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine?
[3-(2-methylpropyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine has a molecular weight of 271.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 105188108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).