5-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine

C11H13ClN4 — CID 62194518

IUPAC5-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(Cn2cc(Cl)cn2)cn1
InChIInChI=1S/C11H13ClN4/c1-2-13-11-4-3-9(5-14-11)7-16-8-10(12)6-15-16/h3-6,8H,2,7H2,1H3,(H,13,14)
InChIKeyPGPCPVFKIBNBIK-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.41
Rot. Bonds4

About 5-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine

5-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine (PubChem CID 62194518) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 5-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name5-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine
PubChem CID62194518
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name5-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(Cn2cc(Cl)cn2)cn1
InChIInChI=1S/C11H13ClN4/c1-2-13-11-4-3-9(5-14-11)7-16-8-10(12)6-15-16/h3-6,8H,2,7H2,1H3,(H,13,14)
InChIKeyPGPCPVFKIBNBIK-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine?
The IUPAC name of 5-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine (CID 62194518) is 5-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 5-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 5-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine is CCNc1ccc(Cn2cc(Cl)cn2)cn1.
What is the InChIKey of 5-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine?
The InChIKey is PGPCPVFKIBNBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-2-13-11-4-3-9(5-14-11)7-16-8-10(12)6-15-16/h3-6,8H,2,7H2,1H3,(H,13,14).
What are the key properties of 5-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine?
5-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine has a molecular weight of 236.71 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 62194518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).