2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(6-methoxypyrimidin-4-yl)ethanamine

C13H18ClN5O — CID 102950787

IUPAC2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(6-methoxypyrimidin-4-yl)ethanamine
SMILESCCc1nn(C)c(CC(N)c2cc(OC)ncn2)c1Cl
InChIInChI=1S/C13H18ClN5O/c1-4-9-13(14)11(19(2)18-9)5-8(15)10-6-12(20-3)17-7-16-10/h6-8H,4-5,15H2,1-3H3
InChIKeyDPNDYEPIIYRSNO-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.68
Rot. Bonds5

About 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(6-methoxypyrimidin-4-yl)ethanamine

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(6-methoxypyrimidin-4-yl)ethanamine (PubChem CID 102950787) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(6-methoxypyrimidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(6-methoxypyrimidin-4-yl)ethanamine
PubChem CID102950787
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(6-methoxypyrimidin-4-yl)ethanamine
SMILESCCc1nn(C)c(CC(N)c2cc(OC)ncn2)c1Cl
InChIInChI=1S/C13H18ClN5O/c1-4-9-13(14)11(19(2)18-9)5-8(15)10-6-12(20-3)17-7-16-10/h6-8H,4-5,15H2,1-3H3
InChIKeyDPNDYEPIIYRSNO-UHFFFAOYSA-N
XLogP1.68
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(6-methoxypyrimidin-4-yl)ethanamine 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

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanamine
CID 104998324
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105159798
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(6-methoxy-2-pyridinyl)ethanol
CID 103348112
1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104998494
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 79780623
2-ethoxy-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950788
1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 102950597
1-(5-bromo-2-fluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 114894574
3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093475
(2R)-2-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 106702822
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 104998335

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(6-methoxypyrimidin-4-yl)ethanamine?
The IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(6-methoxypyrimidin-4-yl)ethanamine (CID 102950787) is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(6-methoxypyrimidin-4-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(6-methoxypyrimidin-4-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(6-methoxypyrimidin-4-yl)ethanamine is CCc1nn(C)c(CC(N)c2cc(OC)ncn2)c1Cl.
What is the InChIKey of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(6-methoxypyrimidin-4-yl)ethanamine?
The InChIKey is DPNDYEPIIYRSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O/c1-4-9-13(14)11(19(2)18-9)5-8(15)10-6-12(20-3)17-7-16-10/h6-8H,4-5,15H2,1-3H3.
What are the key properties of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(6-methoxypyrimidin-4-yl)ethanamine?
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(6-methoxypyrimidin-4-yl)ethanamine has a molecular weight of 295.77 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(6-methoxypyrimidin-4-yl)ethanamine is sourced from PubChem (CID 102950787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).