N-[[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine

C15H21N3O — CID 106888858

IUPACN-[[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
SMILESCC(C)c1nn(C)cc1-c1ccc(CNC2CC2)o1
InChIInChI=1S/C15H21N3O/c1-10(2)15-13(9-18(3)17-15)14-7-6-12(19-14)8-16-11-4-5-11/h6-7,9-11,16H,4-5,8H2,1-3H3
InChIKeyZCMXNOVPTGIXQD-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.06
Rot. Bonds5

About N-[[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine

N-[[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 106888858) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
PubChem CID106888858
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
SMILESCC(C)c1nn(C)cc1-c1ccc(CNC2CC2)o1
InChIInChI=1S/C15H21N3O/c1-10(2)15-13(9-18(3)17-15)14-7-6-12(19-14)8-16-11-4-5-11/h6-7,9-11,16H,4-5,8H2,1-3H3
InChIKeyZCMXNOVPTGIXQD-UHFFFAOYSA-N
XLogP3.06
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methanamine
CID 106888861
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 43754680
N-[[5-(1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
CID 79778825
N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624821
4-ethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 60958007
N-[[5-(2-iodophenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624861
N-[[5-(1-methylimidazol-2-yl)furan-2-yl]methyl]cyclopropanamine
CID 106887299
N-[[5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine
CID 106888845
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]thian-4-amine
CID 115614407
N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624931
N-[[5-(3,5-diethyl-1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
CID 106889049
N-[[5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 115564773

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine (CID 106888858) is N-[[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine is CC(C)c1nn(C)cc1-c1ccc(CNC2CC2)o1.
What is the InChIKey of N-[[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is ZCMXNOVPTGIXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10(2)15-13(9-18(3)17-15)14-7-6-12(19-14)8-16-11-4-5-11/h6-7,9-11,16H,4-5,8H2,1-3H3.
What are the key properties of N-[[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine?
N-[[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 259.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106888858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).