1-[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]butan-2-amine

C15H25N5 — CID 63816248

IUPAC1-[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1c(C)nn(C)c1-n1ccc(C(C)C)n1
InChIInChI=1S/C15H25N5/c1-6-12(16)9-13-11(4)17-19(5)15(13)20-8-7-14(18-20)10(2)3/h7-8,10,12H,6,9,16H2,1-5H3
InChIKeyPCFILAIHQBYNHV-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.32
Rot. Bonds5

About 1-[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]butan-2-amine

1-[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]butan-2-amine (PubChem CID 63816248) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]butan-2-amine
PubChem CID63816248
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name1-[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1c(C)nn(C)c1-n1ccc(C(C)C)n1
InChIInChI=1S/C15H25N5/c1-6-12(16)9-13-11(4)17-19(5)15(13)20-8-7-14(18-20)10(2)3/h7-8,10,12H,6,9,16H2,1-5H3
InChIKeyPCFILAIHQBYNHV-UHFFFAOYSA-N
XLogP2.32
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]propan-2-amine
CID 55235642
N-[[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63070769
1-[2-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine
CID 63816771
1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 62730421
1-[5-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-dimethylpyrazol-4-yl]butan-2-amine
CID 63816431
1-[3-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine
CID 63943120
1-[1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]butan-2-amine
CID 66371633
1-[1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]butan-2-amine
CID 55237371
1-[1,3-dimethyl-5-(4-methylpyrazol-1-yl)pyrazol-4-yl]propan-2-amine
CID 63815356
1-[5-(2,4-dimethylphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]butan-2-amine
CID 63817911
1-[1,3-dimethyl-5-(4-methylazepan-1-yl)pyrazol-4-yl]butan-2-amine
CID 63795740
1-[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine
CID 63817668

Frequently Asked Questions

What is the IUPAC name of 1-[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]butan-2-amine?
The IUPAC name of 1-[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]butan-2-amine (CID 63816248) is 1-[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]butan-2-amine.
What is the SMILES notation for 1-[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]butan-2-amine?
The canonical SMILES for 1-[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]butan-2-amine is CCC(N)Cc1c(C)nn(C)c1-n1ccc(C(C)C)n1.
What is the InChIKey of 1-[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]butan-2-amine?
The InChIKey is PCFILAIHQBYNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-6-12(16)9-13-11(4)17-19(5)15(13)20-8-7-14(18-20)10(2)3/h7-8,10,12H,6,9,16H2,1-5H3.
What are the key properties of 1-[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]butan-2-amine?
1-[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]butan-2-amine has a molecular weight of 275.40 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]butan-2-amine is sourced from PubChem (CID 63816248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).