1-(furan-2-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-2-amine

C16H18N4O — CID 43783191

IUPAC1-(furan-2-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-2-amine
SMILESCC(Cc1ccco1)NCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C16H18N4O/c1-12(8-15-5-3-7-21-15)18-10-14-11-19-20-16(14)13-4-2-6-17-9-13/h2-7,9,11-12,18H,8,10H2,1H3,(H,19,20)
InChIKeyHNNBISNNNTYFOX-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.79
Rot. Bonds6

About 1-(furan-2-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-2-amine

1-(furan-2-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-2-amine (PubChem CID 43783191) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-2-amine
PubChem CID43783191
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name1-(furan-2-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-2-amine
SMILESCC(Cc1ccco1)NCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C16H18N4O/c1-12(8-15-5-3-7-21-15)18-10-14-11-19-20-16(14)13-4-2-6-17-9-13/h2-7,9,11-12,18H,8,10H2,1H3,(H,19,20)
InChIKeyHNNBISNNNTYFOX-UHFFFAOYSA-N
XLogP2.79
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(furan-2-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-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

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of 1-(furan-2-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-2-amine (CID 43783191) is 1-(furan-2-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(furan-2-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(furan-2-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-2-amine is CC(Cc1ccco1)NCc1cn[nH]c1-c1cccnc1.
What is the InChIKey of 1-(furan-2-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is HNNBISNNNTYFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-12(8-15-5-3-7-21-15)18-10-14-11-19-20-16(14)13-4-2-6-17-9-13/h2-7,9,11-12,18H,8,10H2,1H3,(H,19,20).
What are the key properties of 1-(furan-2-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-2-amine?
1-(furan-2-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 282.35 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 43783191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).