N-[2-(3,5-dimethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine

C13H23N3 — CID 62447016

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine
SMILESCc1cc(C)n(C(CNC2CC2)C(C)C)n1
InChIInChI=1S/C13H23N3/c1-9(2)13(8-14-12-5-6-12)16-11(4)7-10(3)15-16/h7,9,12-14H,5-6,8H2,1-4H3
InChIKeyRHRZHIXINKGZIY-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.45
Rot. Bonds5

About N-[2-(3,5-dimethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine

N-[2-(3,5-dimethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine (PubChem CID 62447016) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine
PubChem CID62447016
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine
SMILESCc1cc(C)n(C(CNC2CC2)C(C)C)n1
InChIInChI=1S/C13H23N3/c1-9(2)13(8-14-12-5-6-12)16-11(4)7-10(3)15-16/h7,9,12-14H,5-6,8H2,1-4H3
InChIKeyRHRZHIXINKGZIY-UHFFFAOYSA-N
XLogP2.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine (CID 62447016) is N-[2-(3,5-dimethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine is Cc1cc(C)n(C(CNC2CC2)C(C)C)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine?
The InChIKey is RHRZHIXINKGZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-9(2)13(8-14-12-5-6-12)16-11(4)7-10(3)15-16/h7,9,12-14H,5-6,8H2,1-4H3.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine?
N-[2-(3,5-dimethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine has a molecular weight of 221.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 62447016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).