2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine

C11H13ClN4 — CID 104626521

IUPAC2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine
SMILESCn1ccc(CCNc2ccnc(Cl)c2)n1
InChIInChI=1S/C11H13ClN4/c1-16-7-4-9(15-16)2-5-13-10-3-6-14-11(12)8-10/h3-4,6-8H,2,5H2,1H3,(H,13,14)
InChIKeySYZDMHAWIWOUHO-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.12
Rot. Bonds4

About 2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine

2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine (PubChem CID 104626521) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine
PubChem CID104626521
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine
SMILESCn1ccc(CCNc2ccnc(Cl)c2)n1
InChIInChI=1S/C11H13ClN4/c1-16-7-4-9(15-16)2-5-13-10-3-6-14-11(12)8-10/h3-4,6-8H,2,5H2,1H3,(H,13,14)
InChIKeySYZDMHAWIWOUHO-UHFFFAOYSA-N
XLogP2.12
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-4-amine
CID 102824217
2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine
CID 104695901
3,5-dichloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine
CID 114144034
5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile
CID 104626517
2-amino-4-[2-(1-methylpyrazol-3-yl)ethylamino]benzonitrile
CID 106103978
N-(2-chloro-4-pyridinyl)-N',N'-diethylethane-1,2-diamine
CID 83813273
2-chloro-N-[2-(2-methylphenyl)ethyl]pyridin-4-amine
CID 102824301
5-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 106105319
6-chloro-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
CID 114143853
2-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 75525064
3-chloro-5,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine
CID 106106127
N-[2-(1-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine
CID 106105408

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine?
The IUPAC name of 2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine (CID 104626521) is 2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine?
The canonical SMILES for 2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine is Cn1ccc(CCNc2ccnc(Cl)c2)n1.
What is the InChIKey of 2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine?
The InChIKey is SYZDMHAWIWOUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-16-7-4-9(15-16)2-5-13-10-3-6-14-11(12)8-10/h3-4,6-8H,2,5H2,1H3,(H,13,14).
What are the key properties of 2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine?
2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine has a molecular weight of 236.71 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine is sourced from PubChem (CID 104626521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).