1-(1-butan-2-ylpyrazol-3-yl)-2-(2,5-dimethylphenyl)propan-2-amine

C18H27N3 — CID 64785649

IUPAC1-(1-butan-2-ylpyrazol-3-yl)-2-(2,5-dimethylphenyl)propan-2-amine
SMILESCCC(C)n1ccc(CC(C)(N)c2cc(C)ccc2C)n1
InChIInChI=1S/C18H27N3/c1-6-15(4)21-10-9-16(20-21)12-18(5,19)17-11-13(2)7-8-14(17)3/h7-11,15H,6,12,19H2,1-5H3
InChIKeyDYZXXJBXJXFGNK-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.89
Rot. Bonds5

About 1-(1-butan-2-ylpyrazol-3-yl)-2-(2,5-dimethylphenyl)propan-2-amine

1-(1-butan-2-ylpyrazol-3-yl)-2-(2,5-dimethylphenyl)propan-2-amine (PubChem CID 64785649) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-(1-butan-2-ylpyrazol-3-yl)-2-(2,5-dimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(1-butan-2-ylpyrazol-3-yl)-2-(2,5-dimethylphenyl)propan-2-amine
PubChem CID64785649
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-(1-butan-2-ylpyrazol-3-yl)-2-(2,5-dimethylphenyl)propan-2-amine
SMILESCCC(C)n1ccc(CC(C)(N)c2cc(C)ccc2C)n1
InChIInChI=1S/C18H27N3/c1-6-15(4)21-10-9-16(20-21)12-18(5,19)17-11-13(2)7-8-14(17)3/h7-11,15H,6,12,19H2,1-5H3
InChIKeyDYZXXJBXJXFGNK-UHFFFAOYSA-N
XLogP3.89
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-butan-2-ylpyrazol-3-yl)-2-(2-methylphenyl)propan-2-amine
CID 64784290
2-(2,5-dimethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine
CID 82868491
2-(2-bromophenyl)-1-(1-butan-2-ylpyrazol-3-yl)propan-2-amine
CID 64783132
1-(1-butan-2-ylpyrazol-3-yl)-2-methylpentan-2-amine
CID 65020467
5-(1-butan-2-ylpyrazol-3-yl)-4,4-dimethylpentan-2-amine
CID 64778198
1-butan-2-yl-3-[2-(chloromethyl)-2,3-dimethylbutyl]pyrazole
CID 83151402
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83159858
3-[2,2-bis(chloromethyl)-4-methylpentyl]-1-butan-2-ylpyrazole
CID 79448133
1-butan-2-yl-3-[(3-methylphenoxy)methyl]pyrazole
CID 64779517
2-(2-chlorophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785838
2-(3,4-dimethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine
CID 82870328
1-butan-2-yl-3-[(3-fluoro-4-methylphenoxy)methyl]pyrazole
CID 107171387

Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-2-(2,5-dimethylphenyl)propan-2-amine?
The IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-2-(2,5-dimethylphenyl)propan-2-amine (CID 64785649) is 1-(1-butan-2-ylpyrazol-3-yl)-2-(2,5-dimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(1-butan-2-ylpyrazol-3-yl)-2-(2,5-dimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(1-butan-2-ylpyrazol-3-yl)-2-(2,5-dimethylphenyl)propan-2-amine is CCC(C)n1ccc(CC(C)(N)c2cc(C)ccc2C)n1.
What is the InChIKey of 1-(1-butan-2-ylpyrazol-3-yl)-2-(2,5-dimethylphenyl)propan-2-amine?
The InChIKey is DYZXXJBXJXFGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-6-15(4)21-10-9-16(20-21)12-18(5,19)17-11-13(2)7-8-14(17)3/h7-11,15H,6,12,19H2,1-5H3.
What are the key properties of 1-(1-butan-2-ylpyrazol-3-yl)-2-(2,5-dimethylphenyl)propan-2-amine?
1-(1-butan-2-ylpyrazol-3-yl)-2-(2,5-dimethylphenyl)propan-2-amine has a molecular weight of 285.44 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butan-2-ylpyrazol-3-yl)-2-(2,5-dimethylphenyl)propan-2-amine is sourced from PubChem (CID 64785649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).