2-(4-chlorophenyl)-2-pyrazol-1-yl-N-(pyridin-4-ylmethyl)ethanamine

C17H17ClN4 — CID 71859796

IUPAC2-(4-chlorophenyl)-2-pyrazol-1-yl-N-(pyridin-4-ylmethyl)ethanamine
SMILESClc1ccc(C(CNCc2ccncc2)n2cccn2)cc1
InChIInChI=1S/C17H17ClN4/c18-16-4-2-15(3-5-16)17(22-11-1-8-21-22)13-20-12-14-6-9-19-10-7-14/h1-11,17,20H,12-13H2
InChIKeyNCVXILCLRIFDPY-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.31
Rot. Bonds6

About 2-(4-chlorophenyl)-2-pyrazol-1-yl-N-(pyridin-4-ylmethyl)ethanamine

2-(4-chlorophenyl)-2-pyrazol-1-yl-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 71859796) has the molecular formula C17H17ClN4 and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-pyrazol-1-yl-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-pyrazol-1-yl-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID71859796
Molecular FormulaC17H17ClN4
Molecular Weight312.80 g/mol
Exact Mass312.11
IUPAC Name2-(4-chlorophenyl)-2-pyrazol-1-yl-N-(pyridin-4-ylmethyl)ethanamine
SMILESClc1ccc(C(CNCc2ccncc2)n2cccn2)cc1
InChIInChI=1S/C17H17ClN4/c18-16-4-2-15(3-5-16)17(22-11-1-8-21-22)13-20-12-14-6-9-19-10-7-14/h1-11,17,20H,12-13H2
InChIKeyNCVXILCLRIFDPY-UHFFFAOYSA-N
XLogP3.31
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}pyridine
CID 4450788
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
4-(4-chlorobenzyl)-N-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]piperazin-1-amine
CID 5343521
Arylpyrazole, 14
CID 44143414
Arylpyrazole, 15
CID 44143415
2-[4-chlorophenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9945516
4-(3-(4-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl)pyridine
CID 22037512
(1R)-1-(3-chlorophenyl)-N-((1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)methyl)ethanamine
CID 44543088
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-fluoroaniline
CID 70696757
2-chloro-5-(1H-pyrazol-1-ylmethyl)pyridine
CID 1473523
Arylpyrazole, 16
CID 44143416
4-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyrazolo[1,5-a]pyridine
CID 10871118

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-pyrazol-1-yl-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-2-pyrazol-1-yl-N-(pyridin-4-ylmethyl)ethanamine (CID 71859796) is 2-(4-chlorophenyl)-2-pyrazol-1-yl-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-2-pyrazol-1-yl-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-2-pyrazol-1-yl-N-(pyridin-4-ylmethyl)ethanamine is Clc1ccc(C(CNCc2ccncc2)n2cccn2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-pyrazol-1-yl-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is NCVXILCLRIFDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4/c18-16-4-2-15(3-5-16)17(22-11-1-8-21-22)13-20-12-14-6-9-19-10-7-14/h1-11,17,20H,12-13H2.
What are the key properties of 2-(4-chlorophenyl)-2-pyrazol-1-yl-N-(pyridin-4-ylmethyl)ethanamine?
2-(4-chlorophenyl)-2-pyrazol-1-yl-N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 312.80 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-pyrazol-1-yl-N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 71859796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).