1-[2-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine

C17H25N3 — CID 63816771

IUPAC1-[2-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(-n2ccc(C(C)C)n2)cc1C
InChIInChI=1S/C17H25N3/c1-5-15(18)11-14-6-7-16(10-13(14)4)20-9-8-17(19-20)12(2)3/h6-10,12,15H,5,11,18H2,1-4H3
InChIKeyPNJHXKINUUTTFF-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.58
Rot. Bonds5

About 1-[2-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine

1-[2-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine (PubChem CID 63816771) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-[2-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine
PubChem CID63816771
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-[2-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(-n2ccc(C(C)C)n2)cc1C
InChIInChI=1S/C17H25N3/c1-5-15(18)11-14-6-7-16(10-13(14)4)20-9-8-17(19-20)12(2)3/h6-10,12,15H,5,11,18H2,1-4H3
InChIKeyPNJHXKINUUTTFF-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine
CID 63943120
1-[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]butan-2-amine
CID 63816248
1-[4-(3,5-diethylpyrazol-1-yl)-2-methylphenyl]butan-2-amine
CID 82699660
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]butan-2-amine
CID 63816766
1-(2-methyl-4-propan-2-ylsulfanylphenyl)butan-2-amine
CID 63819680
1-[2-bromo-4-(3-propan-2-ylpyrazol-1-yl)phenyl]ethanamine
CID 114069320
1-[4-(2-aminopropyl)-3-methylphenyl]-N-methylpyrazole-3-carboxamide
CID 64780236
1-[4-(4,4-dimethylpiperidin-1-yl)-2-methylphenyl]butan-2-amine
CID 63794169
1-(3-fluorophenyl)-3-propan-2-ylpyrazole
CID 66016724
2-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine
CID 118593098
3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine
CID 118520435
1-[5-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]ethanamine
CID 83127100

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine?
The IUPAC name of 1-[2-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine (CID 63816771) is 1-[2-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine.
What is the SMILES notation for 1-[2-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine?
The canonical SMILES for 1-[2-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine is CCC(N)Cc1ccc(-n2ccc(C(C)C)n2)cc1C.
What is the InChIKey of 1-[2-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine?
The InChIKey is PNJHXKINUUTTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-15(18)11-14-6-7-16(10-13(14)4)20-9-8-17(19-20)12(2)3/h6-10,12,15H,5,11,18H2,1-4H3.
What are the key properties of 1-[2-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine?
1-[2-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine is sourced from PubChem (CID 63816771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).