3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine

C13H25N3 — CID 79408988

IUPAC3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCc1cc(C)n(C(C)C(C)CNC(C)C)n1
InChIInChI=1S/C13H25N3/c1-9(2)14-8-10(3)13(6)16-12(5)7-11(4)15-16/h7,9-10,13-14H,8H2,1-6H3
InChIKeyVUKPVSBXJMDHNM-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.70
Rot. Bonds5

About 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine

3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 79408988) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine
PubChem CID79408988
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCc1cc(C)n(C(C)C(C)CNC(C)C)n1
InChIInChI=1S/C13H25N3/c1-9(2)14-8-10(3)13(6)16-12(5)7-11(4)15-16/h7,9-10,13-14H,8H2,1-6H3
InChIKeyVUKPVSBXJMDHNM-UHFFFAOYSA-N
XLogP2.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine (CID 79408988) is 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine is Cc1cc(C)n(C(C)C(C)CNC(C)C)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is VUKPVSBXJMDHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-9(2)14-8-10(3)13(6)16-12(5)7-11(4)15-16/h7,9-10,13-14H,8H2,1-6H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine?
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 79408988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).