1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]butan-2-amine

C16H22ClN3 — CID 63816766

IUPAC1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(-n2nc(C)c(Cl)c2C)cc1C
InChIInChI=1S/C16H22ClN3/c1-5-14(18)9-13-6-7-15(8-10(13)2)20-12(4)16(17)11(3)19-20/h6-8,14H,5,9,18H2,1-4H3
InChIKeyXLJMPKGOWARPDR-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.73
Rot. Bonds4

About 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]butan-2-amine

1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]butan-2-amine (PubChem CID 63816766) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]butan-2-amine
PubChem CID63816766
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(-n2nc(C)c(Cl)c2C)cc1C
InChIInChI=1S/C16H22ClN3/c1-5-14(18)9-13-6-7-15(8-10(13)2)20-12(4)16(17)11(3)19-20/h6-8,14H,5,9,18H2,1-4H3
InChIKeyXLJMPKGOWARPDR-UHFFFAOYSA-N
XLogP3.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-[4-(chloromethyl)-3-methylphenyl]-3,5-dimethylpyrazole
CID 55038842
1-[4-(3,5-diethylpyrazol-1-yl)-2-methylphenyl]butan-2-amine
CID 82699660
1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]propan-2-amine
CID 63814999
1-[2-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine
CID 63816771
[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 62130684
1-[4-(4,4-dimethylpiperidin-1-yl)-2-methylphenyl]butan-2-amine
CID 63794169
1-[5-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]butan-2-amine
CID 114862477
1-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]butan-2-amine
CID 82718867
2-[2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine
CID 63815380
2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzenesulfonamide
CID 79466814
1-[2-methyl-4-(4-propylpiperidin-1-yl)phenyl]butan-2-amine
CID 63793962
1-[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]propan-2-amine
CID 63817111

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]butan-2-amine?
The IUPAC name of 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]butan-2-amine (CID 63816766) is 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]butan-2-amine.
What is the SMILES notation for 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]butan-2-amine?
The canonical SMILES for 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]butan-2-amine is CCC(N)Cc1ccc(-n2nc(C)c(Cl)c2C)cc1C.
What is the InChIKey of 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]butan-2-amine?
The InChIKey is XLJMPKGOWARPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-5-14(18)9-13-6-7-15(8-10(13)2)20-12(4)16(17)11(3)19-20/h6-8,14H,5,9,18H2,1-4H3.
What are the key properties of 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]butan-2-amine?
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]butan-2-amine has a molecular weight of 291.83 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]butan-2-amine is sourced from PubChem (CID 63816766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).