N-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropyl]cyclopropanamine

C14H25N3 — CID 79224989

IUPACN-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropyl]cyclopropanamine
SMILESCCn1nc(C)c(CC(C)CNC2CC2)c1C
InChIInChI=1S/C14H25N3/c1-5-17-12(4)14(11(3)16-17)8-10(2)9-15-13-6-7-13/h10,13,15H,5-9H2,1-4H3
InChIKeyGHXCSQXDUOSWHM-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.45
Rot. Bonds6

About N-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropyl]cyclopropanamine

N-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropyl]cyclopropanamine (PubChem CID 79224989) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropyl]cyclopropanamine
PubChem CID79224989
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropyl]cyclopropanamine
SMILESCCn1nc(C)c(CC(C)CNC2CC2)c1C
InChIInChI=1S/C14H25N3/c1-5-17-12(4)14(11(3)16-17)8-10(2)9-15-13-6-7-13/h10,13,15H,5-9H2,1-4H3
InChIKeyGHXCSQXDUOSWHM-UHFFFAOYSA-N
XLogP2.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
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-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropyl]cyclopropanamine (CID 79224989) is N-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropyl]cyclopropanamine is CCn1nc(C)c(CC(C)CNC2CC2)c1C.
What is the InChIKey of N-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropyl]cyclopropanamine?
The InChIKey is GHXCSQXDUOSWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-17-12(4)14(11(3)16-17)8-10(2)9-15-13-6-7-13/h10,13,15H,5-9H2,1-4H3.
What are the key properties of N-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropyl]cyclopropanamine?
N-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropyl]cyclopropanamine has a molecular weight of 235.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropyl]cyclopropanamine is sourced from PubChem (CID 79224989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).