N-chloro-3-[2-(1-methylpyrazol-4-yl)ethynyl]-N-propan-2-ylpyridin-4-amine

C14H15ClN4 — CID 171614188

IUPACN-chloro-3-[2-(1-methylpyrazol-4-yl)ethynyl]-N-propan-2-ylpyridin-4-amine
SMILESCC(C)N(Cl)c1ccncc1C#Cc1cnn(C)c1
InChIInChI=1S/C14H15ClN4/c1-11(2)19(15)14-6-7-16-9-13(14)5-4-12-8-17-18(3)10-12/h6-11H,1-3H3
InChIKeyAXXRVUUEQRJFIL-UHFFFAOYSA-N
MW274.76 g/mol
LogP2.58
Rot. Bonds2

About N-chloro-3-[2-(1-methylpyrazol-4-yl)ethynyl]-N-propan-2-ylpyridin-4-amine

N-chloro-3-[2-(1-methylpyrazol-4-yl)ethynyl]-N-propan-2-ylpyridin-4-amine (PubChem CID 171614188) has the molecular formula C14H15ClN4 and a molecular weight of 274.76 g/mol. Its IUPAC name is N-chloro-3-[2-(1-methylpyrazol-4-yl)ethynyl]-N-propan-2-ylpyridin-4-amine.

Molecular Properties

Compound NameN-chloro-3-[2-(1-methylpyrazol-4-yl)ethynyl]-N-propan-2-ylpyridin-4-amine
PubChem CID171614188
Molecular FormulaC14H15ClN4
Molecular Weight274.76 g/mol
Exact Mass274.10
IUPAC NameN-chloro-3-[2-(1-methylpyrazol-4-yl)ethynyl]-N-propan-2-ylpyridin-4-amine
SMILESCC(C)N(Cl)c1ccncc1C#Cc1cnn(C)c1
InChIInChI=1S/C14H15ClN4/c1-11(2)19(15)14-6-7-16-9-13(14)5-4-12-8-17-18(3)10-12/h6-11H,1-3H3
InChIKeyAXXRVUUEQRJFIL-UHFFFAOYSA-N
XLogP2.58
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.76
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-chloro-3-[2-(1-methylpyrazol-4-yl)ethynyl]-N-propan-2-ylpyridin-4-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 N-chloro-3-[2-(1-methylpyrazol-4-yl)ethynyl]-N-propan-2-ylpyridin-4-amine?
The IUPAC name of N-chloro-3-[2-(1-methylpyrazol-4-yl)ethynyl]-N-propan-2-ylpyridin-4-amine (CID 171614188) is N-chloro-3-[2-(1-methylpyrazol-4-yl)ethynyl]-N-propan-2-ylpyridin-4-amine.
What is the SMILES notation for N-chloro-3-[2-(1-methylpyrazol-4-yl)ethynyl]-N-propan-2-ylpyridin-4-amine?
The canonical SMILES for N-chloro-3-[2-(1-methylpyrazol-4-yl)ethynyl]-N-propan-2-ylpyridin-4-amine is CC(C)N(Cl)c1ccncc1C#Cc1cnn(C)c1.
What is the InChIKey of N-chloro-3-[2-(1-methylpyrazol-4-yl)ethynyl]-N-propan-2-ylpyridin-4-amine?
The InChIKey is AXXRVUUEQRJFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4/c1-11(2)19(15)14-6-7-16-9-13(14)5-4-12-8-17-18(3)10-12/h6-11H,1-3H3.
What are the key properties of N-chloro-3-[2-(1-methylpyrazol-4-yl)ethynyl]-N-propan-2-ylpyridin-4-amine?
N-chloro-3-[2-(1-methylpyrazol-4-yl)ethynyl]-N-propan-2-ylpyridin-4-amine has a molecular weight of 274.76 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-3-[2-(1-methylpyrazol-4-yl)ethynyl]-N-propan-2-ylpyridin-4-amine is sourced from PubChem (CID 171614188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).