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

C15H21N3O — CID 106888899

IUPACN-[[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
SMILESCc1nn(C(C)C)cc1-c1ccoc1CNC1CC1
InChIInChI=1S/C15H21N3O/c1-10(2)18-9-14(11(3)17-18)13-6-7-19-15(13)8-16-12-4-5-12/h6-7,9-10,12,16H,4-5,8H2,1-3H3
InChIKeyYBTMBHVJPKLQFH-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.28
Rot. Bonds5

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

N-[[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 106888899) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
PubChem CID106888899
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
SMILESCc1nn(C(C)C)cc1-c1ccoc1CNC1CC1
InChIInChI=1S/C15H21N3O/c1-10(2)18-9-14(11(3)17-18)13-6-7-19-15(13)8-16-12-4-5-12/h6-7,9-10,12,16H,4-5,8H2,1-3H3
InChIKeyYBTMBHVJPKLQFH-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 66023313
N-[[4-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 105410060
N-[[3-(2-fluoro-5-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106886738
N-[[3-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]cyclopropanamine
CID 106888611
N-[[2-[(4,5-dimethylimidazol-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62441010
4-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 64771439
N-[[3-(2,4-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106887054
N-[[3-(2-cyclobutylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106888100
N-[[3-(6-methoxy-3-pyridinyl)furan-2-yl]methyl]cyclopropanamine
CID 106886975
N-[(3-methylfuran-2-yl)methyl]-4-propylcyclohexan-1-amine
CID 115652704
N-[[3-(3-bromo-2,6-difluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 106943314
N-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 103503329

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine (CID 106888899) is N-[[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine is Cc1nn(C(C)C)cc1-c1ccoc1CNC1CC1.
What is the InChIKey of N-[[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is YBTMBHVJPKLQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10(2)18-9-14(11(3)17-18)13-6-7-19-15(13)8-16-12-4-5-12/h6-7,9-10,12,16H,4-5,8H2,1-3H3.
What are the key properties of N-[[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine?
N-[[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 259.35 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106888899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).