6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-2-amine

C11H13ClN4 — CID 102808181

IUPAC6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-2-amine
SMILESCCn1cc(CNc2cccc(Cl)n2)cn1
InChIInChI=1S/C11H13ClN4/c1-2-16-8-9(7-14-16)6-13-11-5-3-4-10(12)15-11/h3-5,7-8H,2,6H2,1H3,(H,13,15)
InChIKeySEOMIRJYIJASNC-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.56
Rot. Bonds4

About 6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-2-amine

6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-2-amine (PubChem CID 102808181) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-2-amine
PubChem CID102808181
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-2-amine
SMILESCCn1cc(CNc2cccc(Cl)n2)cn1
InChIInChI=1S/C11H13ClN4/c1-2-16-8-9(7-14-16)6-13-11-5-3-4-10(12)15-11/h3-5,7-8H,2,6H2,1H3,(H,13,15)
InChIKeySEOMIRJYIJASNC-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
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

6-chloro-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 53410285
N-[(1-ethylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline
CID 62126525
N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazol-3-amine
CID 115914400
6-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 113431279
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62125641
tert-butyl N-[3-[(1-ethylpyrazol-4-yl)methylamino]phenyl]carbamate
CID 107239945
6-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80816894
N-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120973425
2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-5-iodoaniline
CID 113365415
6-chloro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 63587268
N-[(1-ethylpyrazol-4-yl)methyl]-4-propylaniline
CID 62127247
N-[(1-ethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline
CID 103818614

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-2-amine (CID 102808181) is 6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-2-amine is CCn1cc(CNc2cccc(Cl)n2)cn1.
What is the InChIKey of 6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-2-amine?
The InChIKey is SEOMIRJYIJASNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-2-16-8-9(7-14-16)6-13-11-5-3-4-10(12)15-11/h3-5,7-8H,2,6H2,1H3,(H,13,15).
What are the key properties of 6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-2-amine?
6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-2-amine has a molecular weight of 236.71 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 102808181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).