N-(3-methylbutan-2-yl)-1-(3-methylbutyl)pyrazol-3-amine

C13H25N3 — CID 115921805

IUPACN-(3-methylbutan-2-yl)-1-(3-methylbutyl)pyrazol-3-amine
SMILESCC(C)CCn1ccc(NC(C)C(C)C)n1
InChIInChI=1S/C13H25N3/c1-10(2)6-8-16-9-7-13(15-16)14-12(5)11(3)4/h7,9-12H,6,8H2,1-5H3,(H,14,15)
InChIKeyHEDZCNADPIHUPD-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.39
Rot. Bonds6

About N-(3-methylbutan-2-yl)-1-(3-methylbutyl)pyrazol-3-amine

N-(3-methylbutan-2-yl)-1-(3-methylbutyl)pyrazol-3-amine (PubChem CID 115921805) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-1-(3-methylbutyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-1-(3-methylbutyl)pyrazol-3-amine
PubChem CID115921805
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-(3-methylbutan-2-yl)-1-(3-methylbutyl)pyrazol-3-amine
SMILESCC(C)CCn1ccc(NC(C)C(C)C)n1
InChIInChI=1S/C13H25N3/c1-10(2)6-8-16-9-7-13(15-16)14-12(5)11(3)4/h7,9-12H,6,8H2,1-5H3,(H,14,15)
InChIKeyHEDZCNADPIHUPD-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-1-(3-methylbutyl)pyrazol-3-amine?
The IUPAC name of N-(3-methylbutan-2-yl)-1-(3-methylbutyl)pyrazol-3-amine (CID 115921805) is N-(3-methylbutan-2-yl)-1-(3-methylbutyl)pyrazol-3-amine.
What is the SMILES notation for N-(3-methylbutan-2-yl)-1-(3-methylbutyl)pyrazol-3-amine?
The canonical SMILES for N-(3-methylbutan-2-yl)-1-(3-methylbutyl)pyrazol-3-amine is CC(C)CCn1ccc(NC(C)C(C)C)n1.
What is the InChIKey of N-(3-methylbutan-2-yl)-1-(3-methylbutyl)pyrazol-3-amine?
The InChIKey is HEDZCNADPIHUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-10(2)6-8-16-9-7-13(15-16)14-12(5)11(3)4/h7,9-12H,6,8H2,1-5H3,(H,14,15).
What are the key properties of N-(3-methylbutan-2-yl)-1-(3-methylbutyl)pyrazol-3-amine?
N-(3-methylbutan-2-yl)-1-(3-methylbutyl)pyrazol-3-amine has a molecular weight of 223.36 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-1-(3-methylbutyl)pyrazol-3-amine is sourced from PubChem (CID 115921805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).