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

C11H13ClN4 — CID 104695941

IUPAC3-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine
SMILESCn1nccc1CCNc1ccncc1Cl
InChIInChI=1S/C11H13ClN4/c1-16-9(3-7-15-16)2-6-14-11-4-5-13-8-10(11)12/h3-5,7-8H,2,6H2,1H3,(H,13,14)
InChIKeyIOAVXSYBOMTOPY-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.12
Rot. Bonds4

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

3-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine (PubChem CID 104695941) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 3-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine
PubChem CID104695941
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name3-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine
SMILESCn1nccc1CCNc1ccncc1Cl
InChIInChI=1S/C11H13ClN4/c1-16-9(3-7-15-16)2-6-14-11-4-5-13-8-10(11)12/h3-5,7-8H,2,6H2,1H3,(H,13,14)
InChIKeyIOAVXSYBOMTOPY-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000865
2-bromo-5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103001743
4-chloro-2-methoxy-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000541
2,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000748
4-chloro-5-[2-(2-methylpyrazol-3-yl)ethylamino]-2-propylpyridazin-3-one
CID 103007686
5-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 103012638
4-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-(trifluoromethyl)aniline
CID 103000614
2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine
CID 104695901
1-(3-chloro-4-pyridinyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030450
4-chloro-2-(2-methoxyethyl)-5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridazin-3-one
CID 104696007
5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-nitroaniline
CID 103007631
2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,5-diamine
CID 103004407

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine?
The IUPAC name of 3-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine (CID 104695941) is 3-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine?
The canonical SMILES for 3-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine is Cn1nccc1CCNc1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine?
The InChIKey is IOAVXSYBOMTOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-16-9(3-7-15-16)2-6-14-11-4-5-13-8-10(11)12/h3-5,7-8H,2,6H2,1H3,(H,13,14).
What are the key properties of 3-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine?
3-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine has a molecular weight of 236.71 g/mol, XLogP of 2.12, 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-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine is sourced from PubChem (CID 104695941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).