3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-methylpropan-1-amine

C17H25N3 — CID 79225297

IUPAC3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-methylpropan-1-amine
SMILESCc1ccccc1Cn1nc(C)c(CC(C)CN)c1C
InChIInChI=1S/C17H25N3/c1-12(10-18)9-17-14(3)19-20(15(17)4)11-16-8-6-5-7-13(16)2/h5-8,12H,9-11,18H2,1-4H3
InChIKeyJYVIATJXYQFVLA-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.99
Rot. Bonds5

About 3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-methylpropan-1-amine

3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-methylpropan-1-amine (PubChem CID 79225297) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-methylpropan-1-amine
PubChem CID79225297
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-methylpropan-1-amine
SMILESCc1ccccc1Cn1nc(C)c(CC(C)CN)c1C
InChIInChI=1S/C17H25N3/c1-12(10-18)9-17-14(3)19-20(15(17)4)11-16-8-6-5-7-13(16)2/h5-8,12H,9-11,18H2,1-4H3
InChIKeyJYVIATJXYQFVLA-UHFFFAOYSA-N
XLogP2.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanamine
CID 61238142
3-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
CID 79224869
2-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 79225227
2-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanoic acid
CID 63272364
methyl 3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanoate
CID 63272411
3-[1-[(2-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanoic acid
CID 65296472
2-[1-[(2,3-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine
CID 63094942
[1-[(3-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 102856719
3-[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
CID 79225551
5-chloro-3,4-dimethyl-1-[(2-methylphenyl)methyl]pyrazole
CID 66015296
5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-amine
CID 7017840
1-[1-[(2-chloro-4-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-2-amine
CID 106869740

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-methylpropan-1-amine (CID 79225297) is 3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-methylpropan-1-amine is Cc1ccccc1Cn1nc(C)c(CC(C)CN)c1C.
What is the InChIKey of 3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-methylpropan-1-amine?
The InChIKey is JYVIATJXYQFVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-12(10-18)9-17-14(3)19-20(15(17)4)11-16-8-6-5-7-13(16)2/h5-8,12H,9-11,18H2,1-4H3.
What are the key properties of 3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-methylpropan-1-amine?
3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-methylpropan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 79225297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).