N-[[1-[(4-iodophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine

C15H18IN3 — CID 65488971

IUPACN-[[1-[(4-iodophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1nn(Cc2ccc(I)cc2)cc1CNC1CC1
InChIInChI=1S/C15H18IN3/c1-11-13(8-17-15-6-7-15)10-19(18-11)9-12-2-4-14(16)5-3-12/h2-5,10,15,17H,6-9H2,1H3
InChIKeyHVUXDOSWFLOKAU-UHFFFAOYSA-N
MW367.23 g/mol
LogP3.10
Rot. Bonds5

About N-[[1-[(4-iodophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine

N-[[1-[(4-iodophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 65488971) has the molecular formula C15H18IN3 and a molecular weight of 367.23 g/mol. Its IUPAC name is N-[[1-[(4-iodophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(4-iodophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine
PubChem CID65488971
Molecular FormulaC15H18IN3
Molecular Weight367.23 g/mol
Exact Mass367.05
IUPAC NameN-[[1-[(4-iodophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1nn(Cc2ccc(I)cc2)cc1CNC1CC1
InChIInChI=1S/C15H18IN3/c1-11-13(8-17-15-6-7-15)10-19(18-11)9-12-2-4-14(16)5-3-12/h2-5,10,15,17H,6-9H2,1H3
InChIKeyHVUXDOSWFLOKAU-UHFFFAOYSA-N
XLogP3.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[[1-[(4-iodophenyl)methyl]-3-methylpyrazol-4-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-[[1-[(3-chloro-4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 103041569
N-[[1-[(3-bromo-5-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 79709192
N-[[3-methyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 106732009
N-[[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62447884
N-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66194177
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine
CID 112668528
N-[2-[2-[(4-chloro-3-methylpyrazol-1-yl)methyl]phenyl]ethyl]cyclopropanamine
CID 115464407
N-[[5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 66441513
N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106719934
N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]cyclopropanamine
CID 62437838
N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66147318
N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine
CID 112668644

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-iodophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(4-iodophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine (CID 65488971) is N-[[1-[(4-iodophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(4-iodophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(4-iodophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine is Cc1nn(Cc2ccc(I)cc2)cc1CNC1CC1.
What is the InChIKey of N-[[1-[(4-iodophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is HVUXDOSWFLOKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18IN3/c1-11-13(8-17-15-6-7-15)10-19(18-11)9-12-2-4-14(16)5-3-12/h2-5,10,15,17H,6-9H2,1H3.
What are the key properties of N-[[1-[(4-iodophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine?
N-[[1-[(4-iodophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 367.23 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-iodophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65488971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).