3,5-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine

C11H12Cl2N4 — CID 80688948

IUPAC3,5-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine
SMILESCn1cc(CCNc2ncc(Cl)cc2Cl)cn1
InChIInChI=1S/C11H12Cl2N4/c1-17-7-8(5-16-17)2-3-14-11-10(13)4-9(12)6-15-11/h4-7H,2-3H2,1H3,(H,14,15)
InChIKeyJZBLTLISMOEQJW-UHFFFAOYSA-N
MW271.15 g/mol
LogP2.78
Rot. Bonds4

About 3,5-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine

3,5-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine (PubChem CID 80688948) 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-4-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine
PubChem CID80688948
Molecular FormulaC11H12Cl2N4
Molecular Weight271.15 g/mol
Exact Mass270.04
IUPAC Name3,5-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine
SMILESCn1cc(CCNc2ncc(Cl)cc2Cl)cn1
InChIInChI=1S/C11H12Cl2N4/c1-17-7-8(5-16-17)2-3-14-11-10(13)4-9(12)6-15-11/h4-7H,2-3H2,1H3,(H,14,15)
InChIKeyJZBLTLISMOEQJW-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

3-bromo-5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine
CID 114836017
5-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 80681081
3,5-dichloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine
CID 114144034
2,6-dibromo-4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]aniline
CID 114209108
3-bromo-4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]aniline
CID 103747961
5-chloro-6-hydrazinyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 80686009
7-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]quinolin-4-amine
CID 78955180
3,5-dichloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-2-amine
CID 106177550
6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine
CID 80853555
3,5-dichloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine
CID 43600403
2-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)aniline
CID 103000500
N'-(3,5-dichloro-2-pyridinyl)propane-1,3-diamine
CID 14397361

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine (CID 80688948) is 3,5-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine is Cn1cc(CCNc2ncc(Cl)cc2Cl)cn1.
What is the InChIKey of 3,5-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine?
The InChIKey is JZBLTLISMOEQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4/c1-17-7-8(5-16-17)2-3-14-11-10(13)4-9(12)6-15-11/h4-7H,2-3H2,1H3,(H,14,15).
What are the key properties of 3,5-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine?
3,5-dichloro-N-[2-(1-methylpyrazol-4-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-4-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 80688948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).