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

C12H15N3O — CID 79778825

IUPACN-[[5-(1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
SMILESCn1cc(-c2ccc(CNC3CC3)o2)cn1
InChIInChI=1S/C12H15N3O/c1-15-8-9(6-14-15)12-5-4-11(16-12)7-13-10-2-3-10/h4-6,8,10,13H,2-3,7H2,1H3
InChIKeyCWMTXTHOYVMDEB-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.93
Rot. Bonds4

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

N-[[5-(1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 79778825) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[[5-(1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
PubChem CID79778825
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-[[5-(1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
SMILESCn1cc(-c2ccc(CNC3CC3)o2)cn1
InChIInChI=1S/C12H15N3O/c1-15-8-9(6-14-15)12-5-4-11(16-12)7-13-10-2-3-10/h4-6,8,10,13H,2-3,7H2,1H3
InChIKeyCWMTXTHOYVMDEB-UHFFFAOYSA-N
XLogP1.93
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine (CID 79778825) is N-[[5-(1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine is Cn1cc(-c2ccc(CNC3CC3)o2)cn1.
What is the InChIKey of N-[[5-(1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is CWMTXTHOYVMDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15-8-9(6-14-15)12-5-4-11(16-12)7-13-10-2-3-10/h4-6,8,10,13H,2-3,7H2,1H3.
What are the key properties of N-[[5-(1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine?
N-[[5-(1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 217.27 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79778825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).