N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine

C15H21ClN4 — CID 62294980

IUPACN-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1c(C)cc(C)nc1-n1nc(C)c(Cl)c1C
InChIInChI=1S/C15H21ClN4/c1-6-17-8-13-9(2)7-10(3)18-15(13)20-12(5)14(16)11(4)19-20/h7,17H,6,8H2,1-5H3
InChIKeyNOVHRHAREZAKIG-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.26
Rot. Bonds4

About N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine

N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine (PubChem CID 62294980) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
PubChem CID62294980
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC NameN-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1c(C)cc(C)nc1-n1nc(C)c(Cl)c1C
InChIInChI=1S/C15H21ClN4/c1-6-17-8-13-9(2)7-10(3)18-15(13)20-12(5)14(16)11(4)19-20/h7,17H,6,8H2,1-5H3
InChIKeyNOVHRHAREZAKIG-UHFFFAOYSA-N
XLogP3.26
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine (CID 62294980) is N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine is CCNCc1c(C)cc(C)nc1-n1nc(C)c(Cl)c1C.
What is the InChIKey of N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
The InChIKey is NOVHRHAREZAKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-6-17-8-13-9(2)7-10(3)18-15(13)20-12(5)14(16)11(4)19-20/h7,17H,6,8H2,1-5H3.
What are the key properties of N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine has a molecular weight of 292.81 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62294980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).