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

C11H13ClN4 — CID 103748346

IUPAC3-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridin-2-amine
SMILESCc1cnn(CCNc2ncccc2Cl)c1
InChIInChI=1S/C11H13ClN4/c1-9-7-15-16(8-9)6-5-14-11-10(12)3-2-4-13-11/h2-4,7-8H,5-6H2,1H3,(H,13,14)
InChIKeyPTOGTENWAKUIJE-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.35
Rot. Bonds4

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

3-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridin-2-amine (PubChem CID 103748346) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridin-2-amine
PubChem CID103748346
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name3-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridin-2-amine
SMILESCc1cnn(CCNc2ncccc2Cl)c1
InChIInChI=1S/C11H13ClN4/c1-9-7-15-16(8-9)6-5-14-11-10(12)3-2-4-13-11/h2-4,7-8H,5-6H2,1H3,(H,13,14)
InChIKeyPTOGTENWAKUIJE-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridin-2-amine (CID 103748346) is 3-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridin-2-amine is Cc1cnn(CCNc2ncccc2Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridin-2-amine?
The InChIKey is PTOGTENWAKUIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-9-7-15-16(8-9)6-5-14-11-10(12)3-2-4-13-11/h2-4,7-8H,5-6H2,1H3,(H,13,14).
What are the key properties of 3-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridin-2-amine?
3-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridin-2-amine has a molecular weight of 236.71 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 103748346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).