N-(furan-2-ylmethyl)-3-pyrazol-1-ylaniline

C14H13N3O — CID 43739947

IUPACN-(furan-2-ylmethyl)-3-pyrazol-1-ylaniline
SMILESc1cc(NCc2ccco2)cc(-n2cccn2)c1
InChIInChI=1S/C14H13N3O/c1-4-12(15-11-14-6-2-9-18-14)10-13(5-1)17-8-3-7-16-17/h1-10,15H,11H2
InChIKeyYYBSEWBNQRIEQN-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.08
Rot. Bonds4

About N-(furan-2-ylmethyl)-3-pyrazol-1-ylaniline

N-(furan-2-ylmethyl)-3-pyrazol-1-ylaniline (PubChem CID 43739947) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-pyrazol-1-ylaniline
PubChem CID43739947
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC NameN-(furan-2-ylmethyl)-3-pyrazol-1-ylaniline
SMILESc1cc(NCc2ccco2)cc(-n2cccn2)c1
InChIInChI=1S/C14H13N3O/c1-4-12(15-11-14-6-2-9-18-14)10-13(5-1)17-8-3-7-16-17/h1-10,15H,11H2
InChIKeyYYBSEWBNQRIEQN-UHFFFAOYSA-N
XLogP3.08
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(furan-2-ylmethyl)-3-pyrazol-1-ylaniline 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

2-[(3-pyrazol-1-ylanilino)methyl]aniline
CID 66416886
3-pyrazol-1-yl-N-(1,3-thiazol-5-ylmethyl)aniline
CID 55109620
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739916
N-[(2-bromophenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739976
N-[(4,5-dibromothiophen-2-yl)methyl]-3-pyrazol-1-ylaniline
CID 102833729
N-[(2,4-dichlorophenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739948
N-[(6-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylaniline
CID 104756598
N-[(5-bromothiophen-3-yl)methyl]-3-pyrazol-1-ylaniline
CID 43740019
N-[(3-methoxyphenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739922
N-(furan-2-ylmethyl)-4-(triazol-2-yl)aniline
CID 43740320
N-[(4-fluoro-2-methylphenyl)methyl]-3-pyrazol-1-ylaniline
CID 62134761
N-hexyl-3-pyrazol-1-ylaniline
CID 43739910

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-pyrazol-1-ylaniline?
The IUPAC name of N-(furan-2-ylmethyl)-3-pyrazol-1-ylaniline (CID 43739947) is N-(furan-2-ylmethyl)-3-pyrazol-1-ylaniline.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-pyrazol-1-ylaniline?
The canonical SMILES for N-(furan-2-ylmethyl)-3-pyrazol-1-ylaniline is c1cc(NCc2ccco2)cc(-n2cccn2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-pyrazol-1-ylaniline?
The InChIKey is YYBSEWBNQRIEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-4-12(15-11-14-6-2-9-18-14)10-13(5-1)17-8-3-7-16-17/h1-10,15H,11H2.
What are the key properties of N-(furan-2-ylmethyl)-3-pyrazol-1-ylaniline?
N-(furan-2-ylmethyl)-3-pyrazol-1-ylaniline has a molecular weight of 239.28 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-pyrazol-1-ylaniline is sourced from PubChem (CID 43739947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).