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

C12H14BrN3O — CID 62441918

IUPACN-[[3-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESBrc1cnn(Cc2ccoc2CNC2CC2)c1
InChIInChI=1S/C12H14BrN3O/c13-10-5-15-16(8-10)7-9-3-4-17-12(9)6-14-11-1-2-11/h3-5,8,11,14H,1-2,6-7H2
InChIKeyWOXGLELXKVNLCV-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.54
Rot. Bonds5

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

N-[[3-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 62441918) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is N-[[3-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID62441918
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC NameN-[[3-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESBrc1cnn(Cc2ccoc2CNC2CC2)c1
InChIInChI=1S/C12H14BrN3O/c13-10-5-15-16(8-10)7-9-3-4-17-12(9)6-14-11-1-2-11/h3-5,8,11,14H,1-2,6-7H2
InChIKeyWOXGLELXKVNLCV-UHFFFAOYSA-N
XLogP2.54
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62411236
N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 114540153
N-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 103503329
N-[[3-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]cyclopropanamine
CID 62448348
N-[[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methyl]cyclopropanamine
CID 62434248
N-[[3-[(2,3-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62413363
N-[[3-[(4,4-diethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 63163443
N-[[3-[(4-methylazepan-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 63626130
N-[4-[2-[(cyclopropylamino)methyl]furan-3-yl]butyl]cyclopropanamine
CID 66324064
N-[[3-[(2-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 55075068
N-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62440081
N-[[3-[(4-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62486032

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine (CID 62441918) is N-[[3-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine is Brc1cnn(Cc2ccoc2CNC2CC2)c1.
What is the InChIKey of N-[[3-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is WOXGLELXKVNLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c13-10-5-15-16(8-10)7-9-3-4-17-12(9)6-14-11-1-2-11/h3-5,8,11,14H,1-2,6-7H2.
What are the key properties of N-[[3-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
N-[[3-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 296.17 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62441918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).