N-[[5-[(4-chloropyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine

C13H16ClN3O — CID 62443100

IUPACN-[[5-[(4-chloropyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
SMILESCc1cc(Cn2cc(Cl)cn2)oc1CNC1CC1
InChIInChI=1S/C13H16ClN3O/c1-9-4-12(8-17-7-10(14)5-16-17)18-13(9)6-15-11-2-3-11/h4-5,7,11,15H,2-3,6,8H2,1H3
InChIKeyZKSOOTFRDYHTGU-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.74
Rot. Bonds5

About N-[[5-[(4-chloropyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine

N-[[5-[(4-chloropyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine (PubChem CID 62443100) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is N-[[5-[(4-chloropyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(4-chloropyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
PubChem CID62443100
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC NameN-[[5-[(4-chloropyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
SMILESCc1cc(Cn2cc(Cl)cn2)oc1CNC1CC1
InChIInChI=1S/C13H16ClN3O/c1-9-4-12(8-17-7-10(14)5-16-17)18-13(9)6-15-11-2-3-11/h4-5,7,11,15H,2-3,6,8H2,1H3
InChIKeyZKSOOTFRDYHTGU-UHFFFAOYSA-N
XLogP2.74
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[(4-chloropyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-[(4-chloropyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62443290
N-[[3-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62438980
N-[[5-[(2,5-dimethylmorpholin-4-yl)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62432799
N-[[3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 106316701
N-[[5-[(dimethylamino)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62418013
2-methyl-N-[[3-methyl-5-[(4-methylpyrazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 55073324
N-[[5-[(2,4-dichlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62460285
N-[[4-(4-chloropyrazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 55038787
N-[[5-[(4-bromopyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62443302
N-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 102886971
N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62445952
N-[[5-[(3,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62453241

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-chloropyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(4-chloropyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine (CID 62443100) is N-[[5-[(4-chloropyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(4-chloropyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(4-chloropyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine is Cc1cc(Cn2cc(Cl)cn2)oc1CNC1CC1.
What is the InChIKey of N-[[5-[(4-chloropyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine?
The InChIKey is ZKSOOTFRDYHTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-9-4-12(8-17-7-10(14)5-16-17)18-13(9)6-15-11-2-3-11/h4-5,7,11,15H,2-3,6,8H2,1H3.
What are the key properties of N-[[5-[(4-chloropyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine?
N-[[5-[(4-chloropyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine has a molecular weight of 265.74 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-chloropyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62443100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).