N-[[4-(4-chloropyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine

C12H15ClN4 — CID 81254179

IUPACN-[[4-(4-chloropyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(C)cc1-n1cc(Cl)cn1
InChIInChI=1S/C12H15ClN4/c1-3-14-5-10-6-15-9(2)4-12(10)17-8-11(13)7-16-17/h4,6-8,14H,3,5H2,1-2H3
InChIKeyRBUIWIMWUSGEMA-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.34
Rot. Bonds4

About N-[[4-(4-chloropyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine

N-[[4-(4-chloropyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine (PubChem CID 81254179) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is N-[[4-(4-chloropyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(4-chloropyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine
PubChem CID81254179
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC NameN-[[4-(4-chloropyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(C)cc1-n1cc(Cl)cn1
InChIInChI=1S/C12H15ClN4/c1-3-14-5-10-6-15-9(2)4-12(10)17-8-11(13)7-16-17/h4,6-8,14H,3,5H2,1-2H3
InChIKeyRBUIWIMWUSGEMA-UHFFFAOYSA-N
XLogP2.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-pyrazol-5-yl)pyridine
CID 7074967
(3-(pyridin-3-yl)-1H-pyrazol-5-yl)methanamine
CID 11993870
2-methyl-5-(1H-pyrazol-5-yl)pyridine
CID 2805912
4-(1H-Pyrazol-3-yl)pyridine
CID 16412755
3-(5-Methyl-1H-pyrazol-3-yl)pyridine
CID 12707229
2-chloro-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]pyridine
CID 3729981
2-chloro-5-(1H-pyrazol-1-ylmethyl)pyridine
CID 1473523
2-(1H-pyrazol-4-yl)pyridine
CID 3578981
N-methyl-N-[(5-methyl-3-pyridin-3-yl-1H-pyrazol-4-yl)diazenyl]methanamine
CID 275986
2-{2-[4-(1-tert-butyl-1H-pyrazol-4-yl)-3,6-dihydropyridin-1(2H)-yl]ethyl}pyridine
CID 50978449
1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-amine
CID 54581685
N-methyl-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]methanamine
CID 6899954

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chloropyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[4-(4-chloropyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine (CID 81254179) is N-[[4-(4-chloropyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(4-chloropyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(4-chloropyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine is CCNCc1cnc(C)cc1-n1cc(Cl)cn1.
What is the InChIKey of N-[[4-(4-chloropyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine?
The InChIKey is RBUIWIMWUSGEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-3-14-5-10-6-15-9(2)4-12(10)17-8-11(13)7-16-17/h4,6-8,14H,3,5H2,1-2H3.
What are the key properties of N-[[4-(4-chloropyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine?
N-[[4-(4-chloropyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine has a molecular weight of 250.73 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chloropyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 81254179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).