2-(4-chloro-1,3-diethylpyrazol-5-yl)-N-methyl-1-pyrimidin-5-ylethanamine

C14H20ClN5 — CID 102923580

IUPAC2-(4-chloro-1,3-diethylpyrazol-5-yl)-N-methyl-1-pyrimidin-5-ylethanamine
SMILESCCc1nn(CC)c(CC(NC)c2cncnc2)c1Cl
InChIInChI=1S/C14H20ClN5/c1-4-11-14(15)13(20(5-2)19-11)6-12(16-3)10-7-17-9-18-8-10/h7-9,12,16H,4-6H2,1-3H3
InChIKeyLPKBZNPOJGMLJY-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.41
Rot. Bonds6

About 2-(4-chloro-1,3-diethylpyrazol-5-yl)-N-methyl-1-pyrimidin-5-ylethanamine

2-(4-chloro-1,3-diethylpyrazol-5-yl)-N-methyl-1-pyrimidin-5-ylethanamine (PubChem CID 102923580) has the molecular formula C14H20ClN5 and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-(4-chloro-1,3-diethylpyrazol-5-yl)-N-methyl-1-pyrimidin-5-ylethanamine.

Molecular Properties

Compound Name2-(4-chloro-1,3-diethylpyrazol-5-yl)-N-methyl-1-pyrimidin-5-ylethanamine
PubChem CID102923580
Molecular FormulaC14H20ClN5
Molecular Weight293.80 g/mol
Exact Mass293.14
IUPAC Name2-(4-chloro-1,3-diethylpyrazol-5-yl)-N-methyl-1-pyrimidin-5-ylethanamine
SMILESCCc1nn(CC)c(CC(NC)c2cncnc2)c1Cl
InChIInChI=1S/C14H20ClN5/c1-4-11-14(15)13(20(5-2)19-11)6-12(16-3)10-7-17-9-18-8-10/h7-9,12,16H,4-6H2,1-3H3
InChIKeyLPKBZNPOJGMLJY-UHFFFAOYSA-N
XLogP2.41
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)-N-methylethanamine
CID 105001358
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-iodophenyl)-N-methylethanamine
CID 105001342
[2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-pyrimidin-4-ylethyl]hydrazine
CID 105221159
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 105162282
3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-methylpropan-2-amine
CID 79492035
[2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(5-methylfuran-3-yl)ethyl]hydrazine
CID 105318253
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3,5-dichlorophenyl)ethanamine
CID 105001430
[1-(5-bromothiophen-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine
CID 105318272
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-pyridazin-4-ylethanamine
CID 105159900
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dibromophenyl)-N-methylethanamine
CID 107975990
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(1,3-dioxolan-2-yl)-N-methylpropan-2-amine
CID 103546906
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82903138

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-N-methyl-1-pyrimidin-5-ylethanamine?
The IUPAC name of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-N-methyl-1-pyrimidin-5-ylethanamine (CID 102923580) is 2-(4-chloro-1,3-diethylpyrazol-5-yl)-N-methyl-1-pyrimidin-5-ylethanamine.
What is the SMILES notation for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-N-methyl-1-pyrimidin-5-ylethanamine?
The canonical SMILES for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-N-methyl-1-pyrimidin-5-ylethanamine is CCc1nn(CC)c(CC(NC)c2cncnc2)c1Cl.
What is the InChIKey of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-N-methyl-1-pyrimidin-5-ylethanamine?
The InChIKey is LPKBZNPOJGMLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5/c1-4-11-14(15)13(20(5-2)19-11)6-12(16-3)10-7-17-9-18-8-10/h7-9,12,16H,4-6H2,1-3H3.
What are the key properties of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-N-methyl-1-pyrimidin-5-ylethanamine?
2-(4-chloro-1,3-diethylpyrazol-5-yl)-N-methyl-1-pyrimidin-5-ylethanamine has a molecular weight of 293.80 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-N-methyl-1-pyrimidin-5-ylethanamine is sourced from PubChem (CID 102923580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).