N-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propyl]cyclopropanamine

C15H27N3 — CID 79225549

IUPACN-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propyl]cyclopropanamine
SMILESCc1nn(CC(C)C)c(C)c1C(C)CNC1CC1
InChIInChI=1S/C15H27N3/c1-10(2)9-18-13(5)15(12(4)17-18)11(3)8-16-14-6-7-14/h10-11,14,16H,6-9H2,1-5H3
InChIKeyPNKFSYPFZCKRHP-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.01
Rot. Bonds6

About N-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propyl]cyclopropanamine

N-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propyl]cyclopropanamine (PubChem CID 79225549) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propyl]cyclopropanamine
PubChem CID79225549
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propyl]cyclopropanamine
SMILESCc1nn(CC(C)C)c(C)c1C(C)CNC1CC1
InChIInChI=1S/C15H27N3/c1-10(2)9-18-13(5)15(12(4)17-18)11(3)8-16-14-6-7-14/h10-11,14,16H,6-9H2,1-5H3
InChIKeyPNKFSYPFZCKRHP-UHFFFAOYSA-N
XLogP3.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.01
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-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propyl]cyclopropanamine?
The IUPAC name of N-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propyl]cyclopropanamine (CID 79225549) is N-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propyl]cyclopropanamine is Cc1nn(CC(C)C)c(C)c1C(C)CNC1CC1.
What is the InChIKey of N-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propyl]cyclopropanamine?
The InChIKey is PNKFSYPFZCKRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-10(2)9-18-13(5)15(12(4)17-18)11(3)8-16-14-6-7-14/h10-11,14,16H,6-9H2,1-5H3.
What are the key properties of N-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propyl]cyclopropanamine?
N-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propyl]cyclopropanamine has a molecular weight of 249.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propyl]cyclopropanamine is sourced from PubChem (CID 79225549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).