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

C13H11ClN4S — CID 83166919

IUPAC4-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
SMILESClc1ccncc1NCc1cn[nH]c1-c1cccs1
InChIInChI=1S/C13H11ClN4S/c14-10-3-4-15-8-11(10)16-6-9-7-17-18-13(9)12-2-1-5-19-12/h1-5,7-8,16H,6H2,(H,17,18)
InChIKeyMIRIRVNUODGFEX-UHFFFAOYSA-N
MW290.78 g/mol
LogP3.80
Rot. Bonds4

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

4-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine (PubChem CID 83166919) has the molecular formula C13H11ClN4S and a molecular weight of 290.78 g/mol. Its IUPAC name is 4-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name4-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
PubChem CID83166919
Molecular FormulaC13H11ClN4S
Molecular Weight290.78 g/mol
Exact Mass290.04
IUPAC Name4-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
SMILESClc1ccncc1NCc1cn[nH]c1-c1cccs1
InChIInChI=1S/C13H11ClN4S/c14-10-3-4-15-8-11(10)16-6-9-7-17-18-13(9)12-2-1-5-19-12/h1-5,7-8,16H,6H2,(H,17,18)
InChIKeyMIRIRVNUODGFEX-UHFFFAOYSA-N
XLogP3.80
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine?
The IUPAC name of 4-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine (CID 83166919) is 4-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 4-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine?
The canonical SMILES for 4-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine is Clc1ccncc1NCc1cn[nH]c1-c1cccs1.
What is the InChIKey of 4-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine?
The InChIKey is MIRIRVNUODGFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4S/c14-10-3-4-15-8-11(10)16-6-9-7-17-18-13(9)12-2-1-5-19-12/h1-5,7-8,16H,6H2,(H,17,18).
What are the key properties of 4-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine?
4-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine has a molecular weight of 290.78 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 83166919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).