N-[[2-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine

C14H23N3O — CID 65164970

IUPACN-[[2-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)n(CCCC2CCCO2)n1
InChIInChI=1S/C14H23N3O/c1(3-14-4-2-10-18-14)9-17-13(7-8-16-17)11-15-12-5-6-12/h7-8,12,14-15H,1-6,9-11H2
InChIKeyNHBIYSUTCFOFGI-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.09
Rot. Bonds7

About N-[[2-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine

N-[[2-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine (PubChem CID 65164970) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[2-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine
PubChem CID65164970
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[[2-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)n(CCCC2CCCO2)n1
InChIInChI=1S/C14H23N3O/c1(3-14-4-2-10-18-14)9-17-13(7-8-16-17)11-15-12-5-6-12/h7-8,12,14-15H,1-6,9-11H2
InChIKeyNHBIYSUTCFOFGI-UHFFFAOYSA-N
XLogP2.09
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine (CID 65164970) is N-[[2-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine is c1cc(CNC2CC2)n(CCCC2CCCO2)n1.
What is the InChIKey of N-[[2-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine?
The InChIKey is NHBIYSUTCFOFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1(3-14-4-2-10-18-14)9-17-13(7-8-16-17)11-15-12-5-6-12/h7-8,12,14-15H,1-6,9-11H2.
What are the key properties of N-[[2-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine?
N-[[2-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine has a molecular weight of 249.36 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65164970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).