N-[[5-[(4-methylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine

C13H21N3O — CID 55073181

IUPACN-[[5-[(4-methylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine
SMILESCc1cnn(CC2CCC(CNC3CC3)O2)c1
InChIInChI=1S/C13H21N3O/c1-10-6-15-16(8-10)9-13-5-4-12(17-13)7-14-11-2-3-11/h6,8,11-14H,2-5,7,9H2,1H3
InChIKeyVFJKYXFRBXTPTA-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.49
Rot. Bonds5

About N-[[5-[(4-methylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine

N-[[5-[(4-methylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine (PubChem CID 55073181) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[[5-[(4-methylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(4-methylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine
PubChem CID55073181
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[[5-[(4-methylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine
SMILESCc1cnn(CC2CCC(CNC3CC3)O2)c1
InChIInChI=1S/C13H21N3O/c1-10-6-15-16(8-10)9-13-5-4-12(17-13)7-14-11-2-3-11/h6,8,11-14H,2-5,7,9H2,1H3
InChIKeyVFJKYXFRBXTPTA-UHFFFAOYSA-N
XLogP1.49
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-methylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(4-methylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine (CID 55073181) is N-[[5-[(4-methylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(4-methylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(4-methylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine is Cc1cnn(CC2CCC(CNC3CC3)O2)c1.
What is the InChIKey of N-[[5-[(4-methylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine?
The InChIKey is VFJKYXFRBXTPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-6-15-16(8-10)9-13-5-4-12(17-13)7-14-11-2-3-11/h6,8,11-14H,2-5,7,9H2,1H3.
What are the key properties of N-[[5-[(4-methylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine?
N-[[5-[(4-methylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine has a molecular weight of 235.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-methylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55073181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).