3,5-dichloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine

C11H12Cl2N4 — CID 114144034

IUPAC3,5-dichloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine
SMILESCn1ccc(CCNc2ncc(Cl)cc2Cl)n1
InChIInChI=1S/C11H12Cl2N4/c1-17-5-3-9(16-17)2-4-14-11-10(13)6-8(12)7-15-11/h3,5-7H,2,4H2,1H3,(H,14,15)
InChIKeyDLVIABVTOZMYJS-UHFFFAOYSA-N
MW271.15 g/mol
LogP2.78
Rot. Bonds4

About 3,5-dichloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine

3,5-dichloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine (PubChem CID 114144034) has the molecular formula C11H12Cl2N4 and a molecular weight of 271.15 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine
PubChem CID114144034
Molecular FormulaC11H12Cl2N4
Molecular Weight271.15 g/mol
Exact Mass270.04
IUPAC Name3,5-dichloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine
SMILESCn1ccc(CCNc2ncc(Cl)cc2Cl)n1
InChIInChI=1S/C11H12Cl2N4/c1-17-5-3-9(16-17)2-4-14-11-10(13)6-8(12)7-15-11/h3,5-7H,2,4H2,1H3,(H,14,15)
InChIKeyDLVIABVTOZMYJS-UHFFFAOYSA-N
XLogP2.78
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 106105319
5-methyl-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106104117
3,5-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine
CID 80688948
3-bromo-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,5-diamine
CID 114143843
3-chloro-5,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine
CID 106106127
2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine
CID 104626521
3,5-dichloro-N-propylpyridin-2-amine
CID 30058037
6-chloro-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
CID 114143853
3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 82872733
2-chloro-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 106106124
1-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]pyrazin-2-one
CID 104626468
N-[(2-chlorophenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 113434541

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine (CID 114144034) is 3,5-dichloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine is Cn1ccc(CCNc2ncc(Cl)cc2Cl)n1.
What is the InChIKey of 3,5-dichloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine?
The InChIKey is DLVIABVTOZMYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4/c1-17-5-3-9(16-17)2-4-14-11-10(13)6-8(12)7-15-11/h3,5-7H,2,4H2,1H3,(H,14,15).
What are the key properties of 3,5-dichloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine?
3,5-dichloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine has a molecular weight of 271.15 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 114144034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).