2-iodo-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline

C15H13IN4 — CID 43773509

IUPAC2-iodo-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline
SMILESIc1ccccc1NCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C15H13IN4/c16-13-5-1-2-6-14(13)18-9-12-10-19-20-15(12)11-4-3-7-17-8-11/h1-8,10,18H,9H2,(H,19,20)
InChIKeyPIZYOXMOXQOPLY-UHFFFAOYSA-N
MW376.20 g/mol
LogP3.69
Rot. Bonds4

About 2-iodo-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline

2-iodo-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline (PubChem CID 43773509) has the molecular formula C15H13IN4 and a molecular weight of 376.20 g/mol. Its IUPAC name is 2-iodo-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-iodo-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline
PubChem CID43773509
Molecular FormulaC15H13IN4
Molecular Weight376.20 g/mol
Exact Mass376.02
IUPAC Name2-iodo-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline
SMILESIc1ccccc1NCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C15H13IN4/c16-13-5-1-2-6-14(13)18-9-12-10-19-20-15(12)11-4-3-7-17-8-11/h1-8,10,18H,9H2,(H,19,20)
InChIKeyPIZYOXMOXQOPLY-UHFFFAOYSA-N
XLogP3.69
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43756710
3-bromo-2-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline
CID 103890740
4-bromo-2-chloro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43774965
6-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 81498728
2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 61167800
1-(2-bromophenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 61402124
(5-pyridin-3-yl-1H-pyrazol-4-yl)methanol
CID 43753528
3,4-difluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43761640
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclobutanamine
CID 62416311
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-2-amine
CID 43756378
2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanenitrile
CID 104587038
5-ethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 86790656

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline?
The IUPAC name of 2-iodo-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline (CID 43773509) is 2-iodo-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-iodo-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline?
The canonical SMILES for 2-iodo-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline is Ic1ccccc1NCc1cn[nH]c1-c1cccnc1.
What is the InChIKey of 2-iodo-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline?
The InChIKey is PIZYOXMOXQOPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN4/c16-13-5-1-2-6-14(13)18-9-12-10-19-20-15(12)11-4-3-7-17-8-11/h1-8,10,18H,9H2,(H,19,20).
What are the key properties of 2-iodo-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline?
2-iodo-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline has a molecular weight of 376.20 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 43773509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).