4-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpentan-1-amine

C13H25N3 — CID 62448526

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpentan-1-amine
SMILESCc1cc(C)n(C(C)CCCNC(C)C)n1
InChIInChI=1S/C13H25N3/c1-10(2)14-8-6-7-12(4)16-13(5)9-11(3)15-16/h9-10,12,14H,6-8H2,1-5H3
InChIKeyURAFNXXLJGGCKC-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.84
Rot. Bonds6

About 4-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpentan-1-amine

4-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpentan-1-amine (PubChem CID 62448526) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpentan-1-amine
PubChem CID62448526
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpentan-1-amine
SMILESCc1cc(C)n(C(C)CCCNC(C)C)n1
InChIInChI=1S/C13H25N3/c1-10(2)14-8-6-7-12(4)16-13(5)9-11(3)15-16/h9-10,12,14H,6-8H2,1-5H3
InChIKeyURAFNXXLJGGCKC-UHFFFAOYSA-N
XLogP2.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpentan-1-amine (CID 62448526) is 4-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpentan-1-amine is Cc1cc(C)n(C(C)CCCNC(C)C)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpentan-1-amine?
The InChIKey is URAFNXXLJGGCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-10(2)14-8-6-7-12(4)16-13(5)9-11(3)15-16/h9-10,12,14H,6-8H2,1-5H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpentan-1-amine?
4-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpentan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 62448526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).