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

C14H20ClN3O — CID 62443290

IUPACN-[[5-[(4-chloropyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(Cn2cc(Cl)cn2)oc1CNC(C)(C)C
InChIInChI=1S/C14H20ClN3O/c1-10-5-12(9-18-8-11(15)6-17-18)19-13(10)7-16-14(2,3)4/h5-6,8,16H,7,9H2,1-4H3
InChIKeyHKJMZLUHSPVUGA-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.37
Rot. Bonds4

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

N-[[5-[(4-chloropyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62443290) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-[[5-[(4-chloropyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-[(4-chloropyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62443290
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-[[5-[(4-chloropyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(Cn2cc(Cl)cn2)oc1CNC(C)(C)C
InChIInChI=1S/C14H20ClN3O/c1-10-5-12(9-18-8-11(15)6-17-18)19-13(10)7-16-14(2,3)4/h5-6,8,16H,7,9H2,1-4H3
InChIKeyHKJMZLUHSPVUGA-UHFFFAOYSA-N
XLogP3.37
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[(4-chloropyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine 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]cyclopropanamine
CID 62443100
2-methyl-N-[[3-methyl-5-(1,2,4-triazol-1-ylmethyl)furan-2-yl]methyl]propan-2-amine
CID 55072838
N-[[5-[(4-chloropyrazol-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 55073517
2-methyl-N-[[3-methyl-5-[(4-methylpyrazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 55073324
N-[[5-[(4-bromopyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62443302
N-[[5-[[furan-3-ylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62461132
N-[[3-methyl-5-(1,2,4-triazol-1-ylmethyl)furan-2-yl]methyl]ethanamine
CID 62449241
N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]-N-methylaniline
CID 62438515
N-[[5-(cyclopentyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62444441
N-[[5-[(4-chloropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62442297
N-[[5-(2-butoxyethoxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62456393
N-[[5-[3-(dimethylamino)propoxymethyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62460612

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-chloropyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-[(4-chloropyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine (CID 62443290) is N-[[5-[(4-chloropyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-[(4-chloropyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-[(4-chloropyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine is Cc1cc(Cn2cc(Cl)cn2)oc1CNC(C)(C)C.
What is the InChIKey of N-[[5-[(4-chloropyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is HKJMZLUHSPVUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-10-5-12(9-18-8-11(15)6-17-18)19-13(10)7-16-14(2,3)4/h5-6,8,16H,7,9H2,1-4H3.
What are the key properties of N-[[5-[(4-chloropyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-[(4-chloropyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 281.79 g/mol, XLogP of 3.37, 4 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]-2-methylpropan-2-amine is sourced from PubChem (CID 62443290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).